1-[(3-chlorophenyl)methyl]-3,4-dimethylpyrazole

C12H13ClN2 — CID 143458745

IUPAC1-[(3-chlorophenyl)methyl]-3,4-dimethylpyrazole
SMILESCc1cn(Cc2cccc(Cl)c2)nc1C
InChIInChI=1S/C12H13ClN2/c1-9-7-15(14-10(9)2)8-11-4-3-5-12(13)6-11/h3-7H,8H2,1-2H3
InChIKeyVVQYZDSJRNBXEK-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.20
Rot. Bonds2

About 1-[(3-chlorophenyl)methyl]-3,4-dimethylpyrazole

1-[(3-chlorophenyl)methyl]-3,4-dimethylpyrazole (PubChem CID 143458745) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3,4-dimethylpyrazole.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3,4-dimethylpyrazole
PubChem CID143458745
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name1-[(3-chlorophenyl)methyl]-3,4-dimethylpyrazole
SMILESCc1cn(Cc2cccc(Cl)c2)nc1C
InChIInChI=1S/C12H13ClN2/c1-9-7-15(14-10(9)2)8-11-4-3-5-12(13)6-11/h3-7H,8H2,1-2H3
InChIKeyVVQYZDSJRNBXEK-UHFFFAOYSA-N
XLogP3.20
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-[1-[(3-chlorophenyl)methyl]-3-methylpyrazol-4-yl]-2,4-dioxobutanoate
CID 70014300
1-[(3-chlorophenyl)methyl]pyrazol-4-amine
CID 7017127
1-[(3-chlorophenyl)methyl]-4,5-dimethylimidazole
CID 115624826
1-[(3-chlorophenyl)methyl]-N-[(1-hydroxycyclobutyl)methyl]-3-methylpyrazole-4-carboxamide
CID 111744567
N-[(2S)-2-amino-2-phenylethyl]-1-[(3-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 99815533
3-tert-butyl-1-[(3-chlorophenyl)methyl]pyrazole-4-carboxylic acid
CID 63278823
4-bromo-1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazole
CID 62128432
4-[[[1-[(3-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]amino]methyl]-2-methoxybenzoic acid
CID 171854591
1-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]thiourea
CID 19401381
1-[(3-chlorophenyl)methyl]triazole
CID 12811466
2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanone
CID 19531525
3-methyl-1-[(3-methylphenyl)methyl]pyrazole-4-carboxylic acid
CID 63274913

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3,4-dimethylpyrazole?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3,4-dimethylpyrazole (CID 143458745) is 1-[(3-chlorophenyl)methyl]-3,4-dimethylpyrazole.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3,4-dimethylpyrazole?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3,4-dimethylpyrazole is Cc1cn(Cc2cccc(Cl)c2)nc1C.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3,4-dimethylpyrazole?
The InChIKey is VVQYZDSJRNBXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c1-9-7-15(14-10(9)2)8-11-4-3-5-12(13)6-11/h3-7H,8H2,1-2H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-3,4-dimethylpyrazole?
1-[(3-chlorophenyl)methyl]-3,4-dimethylpyrazole has a molecular weight of 220.70 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3,4-dimethylpyrazole is sourced from PubChem (CID 143458745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).