Basic information
- CAS
1134-81-2- Standard SMILES
Cc1cc(C)n(Cc2ccccc2)n1- InChIKey
DDCXNXMLCDHLEU-UHFFFAOYSA-N- Molecular formula
- C12H14N2
- Average molar mass
- 186.25 g/mol
- Monoisotopic mass
- 186.11569845
Names & identifiers
- Preferred name
- 1-Benzyl-3,5-dimethyl-1H-pyrazole
- IUPAC
- 1-benzyl-3,5-dimethylpyrazole
- English name
- 1-Benzyl-3,5-dimethyl-1H-pyrazole
- Molecular formula
- C12H14N2
- Molecular weight
- 186.25
Names & synonyms
1-Benzyl-3,5-dimethyl-1H-pyrazole1134-81-21-Benzyl-3,5-dimethylpyrazoleMFCD004622323,5-Dimethyl-1-benzylpyrazoleEnamine_005318SCHEMBL316090SCHEMBL3322508SCHEMBL43503901-benzyl-3,5-dimethyl-pyrazoleDTXSID40345326HMS1409B16
Show more names
AKOS PAO-1139AKOS BBS-000045861H-Pyrazole, 3,5-dimethyl-1-(phenylmethyl)-
BAA13481SBB041036STK328128AKOS0002697161-Benzyl-3,5-dimethyl-1H-pyrazole #VS-02166DB-250295CS-0219738
Database identifiers
- CAS
1134-81-2- PubChem CID
- 603765
- DTXSID
DTXSID40345326- Nikkaji
- J46.785E
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 175
Chemistry & industry
Suppliers9 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
安徽合诺生物科技有限公司0555-2761852
安徽合诺生物科技有限公司18455579438
南京代盟化工有限公司02566880956 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
Related reactions
3 records
Compound notes
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