2-(2-chlorophenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]cyclopropane-1-carboxamide

C22H22ClN3O3 — CID 55478059

IUPAC2-(2-chlorophenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]cyclopropane-1-carboxamide
SMILESCOc1cccc(Cn2nccc2NC(=O)C2CC2c2ccccc2Cl)c1OC
InChIInChI=1S/C22H22ClN3O3/c1-28-19-9-5-6-14(21(19)29-2)13-26-20(10-11-24-26)25-22(27)17-12-16(17)15-7-3-4-8-18(15)23/h3-11,16-17H,12-13H2,1-2H3,(H,25,27)
InChIKeyCLYRFPNYDSJXFO-UHFFFAOYSA-N
MW411.89 g/mol
LogP4.34
Rot. Bonds7

About 2-(2-chlorophenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]cyclopropane-1-carboxamide

2-(2-chlorophenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]cyclopropane-1-carboxamide (PubChem CID 55478059) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]cyclopropane-1-carboxamide
PubChem CID55478059
Molecular FormulaC22H22ClN3O3
Molecular Weight411.89 g/mol
Exact Mass411.13
IUPAC Name2-(2-chlorophenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]cyclopropane-1-carboxamide
SMILESCOc1cccc(Cn2nccc2NC(=O)C2CC2c2ccccc2Cl)c1OC
InChIInChI=1S/C22H22ClN3O3/c1-28-19-9-5-6-14(21(19)29-2)13-26-20(10-11-24-26)25-22(27)17-12-16(17)15-7-3-4-8-18(15)23/h3-11,16-17H,12-13H2,1-2H3,(H,25,27)
InChIKeyCLYRFPNYDSJXFO-UHFFFAOYSA-N
XLogP4.34
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 51126779
2-cyclopentyl-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 51248440
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(2-ethylphenoxy)acetamide
CID 51248455
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide
CID 51248422
1-[[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122090603
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-phenoxybenzamide
CID 52523207
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 55462668
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3,4,5-triethoxybenzamide
CID 55435038
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide
CID 78820639
2-(2,4-dimethoxyphenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 55434840
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide
CID 51248461
(E)-3-(2-bromophenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]prop-2-enamide
CID 98643129

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]cyclopropane-1-carboxamide (CID 55478059) is 2-(2-chlorophenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]cyclopropane-1-carboxamide is COc1cccc(Cn2nccc2NC(=O)C2CC2c2ccccc2Cl)c1OC.
What is the InChIKey of 2-(2-chlorophenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]cyclopropane-1-carboxamide?
The InChIKey is CLYRFPNYDSJXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c1-28-19-9-5-6-14(21(19)29-2)13-26-20(10-11-24-26)25-22(27)17-12-16(17)15-7-3-4-8-18(15)23/h3-11,16-17H,12-13H2,1-2H3,(H,25,27).
What are the key properties of 2-(2-chlorophenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]cyclopropane-1-carboxamide?
2-(2-chlorophenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]cyclopropane-1-carboxamide has a molecular weight of 411.89 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55478059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).