N-(3-chloro-4-methoxyphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide

C13H14ClN3O2 — CID 110859494

IUPACN-(3-chloro-4-methoxyphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2n[nH]c(C)c2C)cc1Cl
InChIInChI=1S/C13H14ClN3O2/c1-7-8(2)16-17-12(7)13(18)15-9-4-5-11(19-3)10(14)6-9/h4-6H,1-3H3,(H,15,18)(H,16,17)
InChIKeyOEHUBICGUHWSRF-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.94
Rot. Bonds3

About N-(3-chloro-4-methoxyphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide

N-(3-chloro-4-methoxyphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide (PubChem CID 110859494) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
PubChem CID110859494
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2n[nH]c(C)c2C)cc1Cl
InChIInChI=1S/C13H14ClN3O2/c1-7-8(2)16-17-12(7)13(18)15-9-4-5-11(19-3)10(14)6-9/h4-6H,1-3H3,(H,15,18)(H,16,17)
InChIKeyOEHUBICGUHWSRF-UHFFFAOYSA-N
XLogP2.94
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110859321
N-(3-chlorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110858828
N-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 2470130
N-(4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110858631
N-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 20950820
methyl 5-[(3-chloro-4-methoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 25393428
N-(4-bromophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110859670
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-(3-chloro-4-methoxyphenyl)-6-methoxypyridazine-3-carboxamide
CID 90509434
N-(3-chloro-4-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18150443
6-bromo-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
CID 113343016
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-methyl-1H-imidazole-4-carboxamide
CID 127267538

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide (CID 110859494) is N-(3-chloro-4-methoxyphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide is COc1ccc(NC(=O)c2n[nH]c(C)c2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The InChIKey is OEHUBICGUHWSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-7-8(2)16-17-12(7)13(18)15-9-4-5-11(19-3)10(14)6-9/h4-6H,1-3H3,(H,15,18)(H,16,17).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide?
N-(3-chloro-4-methoxyphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide has a molecular weight of 279.73 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 110859494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).