2-(4-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide

C16H18ClN3O — CID 19292791

IUPAC2-(4-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1cc(CNC(=O)C2CC2c2ccc(Cl)cc2)n(C)n1
InChIInChI=1S/C16H18ClN3O/c1-10-7-13(20(2)19-10)9-18-16(21)15-8-14(15)11-3-5-12(17)6-4-11/h3-7,14-15H,8-9H2,1-2H3,(H,18,21)
InChIKeyINNPUXNWPUFFPG-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.80
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide

2-(4-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 19292791) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide
PubChem CID19292791
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-(4-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1cc(CNC(=O)C2CC2c2ccc(Cl)cc2)n(C)n1
InChIInChI=1S/C16H18ClN3O/c1-10-7-13(20(2)19-10)9-18-16(21)15-8-14(15)11-3-5-12(17)6-4-11/h3-7,14-15H,8-9H2,1-2H3,(H,18,21)
InChIKeyINNPUXNWPUFFPG-UHFFFAOYSA-N
XLogP2.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-(4-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 95615188
2-(4-chlorophenyl)-N-[(1-ethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 19331083
cis-(1R,3S)-3-[(2,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 74241443
2-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]cyclopropane-1-carboxamide
CID 19332081
2-(4-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide
CID 19332301
2-(4-chlorophenyl)-N-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 19405064
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 19333183
trans-(1R,2R)-2-(4-bromophenyl)-N-(2,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 94811638
2-(4-chlorophenyl)-N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropane-1-carboxamide
CID 19330296
trans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 887980
trans-(1S,2S)-2-(4-chlorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide
CID 95760745
(4R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]azepane-4-carboxamide
CID 97456255

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide (CID 19292791) is 2-(4-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide is Cc1cc(CNC(=O)C2CC2c2ccc(Cl)cc2)n(C)n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is INNPUXNWPUFFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-10-7-13(20(2)19-10)9-18-16(21)15-8-14(15)11-3-5-12(17)6-4-11/h3-7,14-15H,8-9H2,1-2H3,(H,18,21).
What are the key properties of 2-(4-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide?
2-(4-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 19292791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).