4-ethyl-3-methyl-1H-pyrazol-5-ol
Basic information
- CAS
112701-02-7- Standard SMILES
CCc1c(C)[nH][nH]c1=O- InChIKey
GWJQJZWYODBHKG-UHFFFAOYSA-N- Molecular formula
- C6H10N2O
- Average molar mass
- 126.16 g/mol
- Monoisotopic mass
- 126.07931295
Names & identifiers
- Preferred name
- 4-ethyl-3-methyl-1H-pyrazol-5-ol
- IUPAC
- 4-ethyl-5-methyl-1,2-dihydropyrazol-3-one
Names & synonyms
112701-02-74-Ethyl-5-methyl-1H-pyrazol-3(2H)-oneZINC343784STK0664504-ethyl-3-methyl-1H-pyrazol-5-olCCc1c(O)(nH)nc1CCCC1=C(NNC1=O)CSCHEMBL1531234SCHEMBL11635658SCHEMBL149303064ETHYL3METHYL1HPYRAZOL5OLDTXSID30401561
Show more names
MFCD00462155ZINC00343784AKOS005158530AKOS0051588764ETHYL5METHYL12DIHYDROPYRAZOL3ONEZINC0000003437843HPYRAZOL3ONE4ETHYL12DIHYDRO5METHYL4-Ethyl-5-methyl-1,2-dihydro-3H-pyrazol-3-one
Database identifiers
- CAS
112701-02-7- PubChem CID
- 4285010
- DTXSID
DTXSID30401561
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 172
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Related reactions
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Compound notes
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