2-(4-chlorophenyl)-N-[(1-ethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide

C16H18ClN3O — CID 19331083

IUPAC2-(4-chlorophenyl)-N-[(1-ethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide
SMILESCCn1ccc(CNC(=O)C2CC2c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H18ClN3O/c1-2-20-8-7-13(19-20)10-18-16(21)15-9-14(15)11-3-5-12(17)6-4-11/h3-8,14-15H,2,9-10H2,1H3,(H,18,21)
InChIKeyMWMBJZLFMIQJAP-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.98
Rot. Bonds5

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

2-(4-chlorophenyl)-N-[(1-ethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 19331083) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(1-ethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(1-ethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide
PubChem CID19331083
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-(4-chlorophenyl)-N-[(1-ethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide
SMILESCCn1ccc(CNC(=O)C2CC2c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H18ClN3O/c1-2-20-8-7-13(19-20)10-18-16(21)15-9-14(15)11-3-5-12(17)6-4-11/h3-8,14-15H,2,9-10H2,1H3,(H,18,21)
InChIKeyMWMBJZLFMIQJAP-UHFFFAOYSA-N
XLogP2.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 19333183
2-(4-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 19292791
2-(4-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide
CID 19332301
trans-(1R,2R)-2-(4-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 95615188
2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]benzamide
CID 19331013
2-(4-chlorophenyl)-N-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 19405064
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
2-(4-chlorophenyl)-N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropane-1-carboxamide
CID 19330296
2-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]cyclopropane-1-carboxamide
CID 19332081
trans-(1R,2R)-2-(4-chlorophenyl)-N-(1-ethyl-6-oxopyrimidin-5-yl)cyclopropane-1-carboxamide
CID 166252428
trans-(1S,2S)-2-(4-chlorophenyl)-N-[3-oxo-3-(prop-2-ynylamino)propyl]cyclopropane-1-carboxamide
CID 95307240

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(1-ethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(1-ethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide (CID 19331083) is 2-(4-chlorophenyl)-N-[(1-ethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(1-ethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(1-ethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide is CCn1ccc(CNC(=O)C2CC2c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(1-ethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is MWMBJZLFMIQJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-2-20-8-7-13(19-20)10-18-16(21)15-9-14(15)11-3-5-12(17)6-4-11/h3-8,14-15H,2,9-10H2,1H3,(H,18,21).
What are the key properties of 2-(4-chlorophenyl)-N-[(1-ethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide?
2-(4-chlorophenyl)-N-[(1-ethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(1-ethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 19331083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).