1'-Ethyl-3'-methyl-1'H,2H-3,4'-bipyrazole
Basic information
- CAS
1006464-91-0- Standard SMILES
CCn1cc(-c2cc[nH]n2)c(C)n1- InChIKey
KKQDQBOHKDZMTM-UHFFFAOYSA-N- Molecular formula
- C9H12N4
- Average molar mass
- 176.22 g/mol
Names & identifiers
- Preferred name
- 1'-Ethyl-3'-methyl-1'H,2H-3,4'-bipyrazole
- IUPAC
- 1-ethyl-3-methyl-4-(1H-pyrazol-5-yl)pyrazole
- English name
- 1-ethyl-3-methyl-1H,1H-3,4-bipyrazole
- Molecular formula
- C9H12N4
- Molecular weight
- 176.22
Names & synonyms
1006464-91-01'-Ethyl-3'-methyl-1'H,2H-3,4'-bipyrazoleMFCD049708981'-ethyl-3'-methyl-1H,1'H-3,4'-bipyrazoleCHEMBL47642311-ethyl-3-methyl-4-(1H-pyrazol-5-yl)pyrazole1-ethyl-3-methyl-4-pyrazol-3-ylpyrazole1'-Ethyl-3'-methyl-2H,1'H-[3,4']bipyrazolyl1-ethyl-3-methyl-4-(1H-pyrazol-5-yl)-1H-pyrazoleBDBM50548149SBB022437STK349801
Show more names
1-ethyl-3-methyl-1H,1H-3,4-bipyrazole3,4'-Bi-1H-pyrazole, 1'-ethyl-3'-methyl-
AKOS000311241AKOS015921223ST070790CS-0298389EN300-2298611''-Ethyl-3''-methyl-1H,1''H-3,4''-bipyrazole
Database identifiers
- CAS
1006464-91-0- ChEMBL
CHEMBL4764231
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 173
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Related reactions
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Compound notes
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