3-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide

C19H18ClN3O2 — CID 98912864

IUPAC3-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cn(C)nc2-c2ccccc2Cl)cc1
InChIInChI=1S/C19H18ClN3O2/c1-23-12-16(18(22-23)15-5-3-4-6-17(15)20)19(24)21-11-13-7-9-14(25-2)10-8-13/h3-10,12H,11H2,1-2H3,(H,21,24)
InChIKeyYAEALPGHWNPLGM-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.68
Rot. Bonds5

About 3-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide

3-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 98912864) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
PubChem CID98912864
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name3-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cn(C)nc2-c2ccccc2Cl)cc1
InChIInChI=1S/C19H18ClN3O2/c1-23-12-16(18(22-23)15-5-3-4-6-17(15)20)19(24)21-11-13-7-9-14(25-2)10-8-13/h3-10,12H,11H2,1-2H3,(H,21,24)
InChIKeyYAEALPGHWNPLGM-UHFFFAOYSA-N
XLogP3.68
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenyl)-1-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide
CID 86901301
N,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 27843936
3-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-4-carboxamide
CID 56790848
2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 110763493
N-[(4-methoxyphenyl)methyl]-1-methylindole-3-carboxamide
CID 9208154
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2127162
1-benzyl-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 9208106
N-[(4-methoxyphenyl)methyl]-1-methyl-4-nitropyrazole-3-carboxamide
CID 712048
N-[(4-methoxyphenyl)methyl]-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 6624925
3-(2-chlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-1-methylpyrazole-4-carboxamide
CID 111471226
3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 42759391
2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 779696

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide (CID 98912864) is 3-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide is COc1ccc(CNC(=O)c2cn(C)nc2-c2ccccc2Cl)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is YAEALPGHWNPLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-23-12-16(18(22-23)15-5-3-4-6-17(15)20)19(24)21-11-13-7-9-14(25-2)10-8-13/h3-10,12H,11H2,1-2H3,(H,21,24).
What are the key properties of 3-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide?
3-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 355.83 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 98912864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).