3-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-carboxamide

C19H18ClN3O3 — CID 46920479

IUPAC3-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3ccccc3Cl)n[nH]2)cc1OC
InChIInChI=1S/C19H18ClN3O3/c1-25-17-8-7-12(9-18(17)26-2)11-21-19(24)16-10-15(22-23-16)13-5-3-4-6-14(13)20/h3-10H,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyVNVPKVQJKCIBNH-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.68
Rot. Bonds6

About 3-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-carboxamide

3-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 46920479) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID46920479
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name3-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3ccccc3Cl)n[nH]2)cc1OC
InChIInChI=1S/C19H18ClN3O3/c1-25-17-8-7-12(9-18(17)26-2)11-21-19(24)16-10-15(22-23-16)13-5-3-4-6-14(13)20/h3-10H,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyVNVPKVQJKCIBNH-UHFFFAOYSA-N
XLogP3.68
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 40705938
2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9242490
3-(2-methoxyphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 121165473
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 20918258
3-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 46920507
N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391702
N-[(3,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 118716752
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 667010
3-(2-chlorophenyl)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
CID 47036298
N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 91817235
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 62234893
4-(3-chloro-2-pyridinyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 59673505

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-carboxamide (CID 46920479) is 3-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-carboxamide is COc1ccc(CNC(=O)c2cc(-c3ccccc3Cl)n[nH]2)cc1OC.
What is the InChIKey of 3-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is VNVPKVQJKCIBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-25-17-8-7-12(9-18(17)26-2)11-21-19(24)16-10-15(22-23-16)13-5-3-4-6-14(13)20/h3-10H,11H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 3-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-carboxamide?
3-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 371.82 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46920479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).