2-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide

C21H20ClN3O — CID 19401715

IUPAC2-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide
SMILESCc1ccc(Cn2cc(NC(=O)C3CC3c3ccc(Cl)cc3)cn2)cc1
InChIInChI=1S/C21H20ClN3O/c1-14-2-4-15(5-3-14)12-25-13-18(11-23-25)24-21(26)20-10-19(20)16-6-8-17(22)9-7-16/h2-9,11,13,19-20H,10,12H2,1H3,(H,24,26)
InChIKeyQKKMOZPASZTKLP-UHFFFAOYSA-N
MW365.86 g/mol
LogP4.64
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide

2-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide (PubChem CID 19401715) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide
PubChem CID19401715
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name2-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide
SMILESCc1ccc(Cn2cc(NC(=O)C3CC3c3ccc(Cl)cc3)cn2)cc1
InChIInChI=1S/C21H20ClN3O/c1-14-2-4-15(5-3-14)12-25-13-18(11-23-25)24-21(26)20-10-19(20)16-6-8-17(22)9-7-16/h2-9,11,13,19-20H,10,12H2,1H3,(H,24,26)
InChIKeyQKKMOZPASZTKLP-UHFFFAOYSA-N
XLogP4.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide
CID 19395537
2-(4-chlorophenyl)-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide
CID 19340322
2-(4-chlorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]cyclopropane-1-carboxamide
CID 19346838
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropanecarboxamide
CID 19400039
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 19284266
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
CID 19410558
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 19526387
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide
CID 19407730
(2R)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 35593011
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 71993905
2-(4-chlorobenzoyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401842
trans-(1R,2R)-2-(4-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 95615188

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide (CID 19401715) is 2-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide is Cc1ccc(Cn2cc(NC(=O)C3CC3c3ccc(Cl)cc3)cn2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide?
The InChIKey is QKKMOZPASZTKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-14-2-4-15(5-3-14)12-25-13-18(11-23-25)24-21(26)20-10-19(20)16-6-8-17(22)9-7-16/h2-9,11,13,19-20H,10,12H2,1H3,(H,24,26).
What are the key properties of 2-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide?
2-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide has a molecular weight of 365.86 g/mol, XLogP of 4.64, 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-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 19401715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).