N-(2-chloro-4,6-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxamide

C13H14ClN3O3 — CID 20918282

IUPACN-(2-chloro-4,6-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCOc1cc(Cl)c(NC(=O)c2cc(C)[nH]n2)c(OC)c1
InChIInChI=1S/C13H14ClN3O3/c1-7-4-10(17-16-7)13(18)15-12-9(14)5-8(19-2)6-11(12)20-3/h4-6H,1-3H3,(H,15,18)(H,16,17)
InChIKeyBVJIKJNRKMYKCI-UHFFFAOYSA-N
MW295.73 g/mol
LogP2.64
Rot. Bonds4

About N-(2-chloro-4,6-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxamide

N-(2-chloro-4,6-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 20918282) has the molecular formula C13H14ClN3O3 and a molecular weight of 295.73 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID20918282
Molecular FormulaC13H14ClN3O3
Molecular Weight295.73 g/mol
Exact Mass295.07
IUPAC NameN-(2-chloro-4,6-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCOc1cc(Cl)c(NC(=O)c2cc(C)[nH]n2)c(OC)c1
InChIInChI=1S/C13H14ClN3O3/c1-7-4-10(17-16-7)13(18)15-12-9(14)5-8(19-2)6-11(12)20-3/h4-6H,1-3H3,(H,15,18)(H,16,17)
InChIKeyBVJIKJNRKMYKCI-UHFFFAOYSA-N
XLogP2.64
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4,6-dimethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46352037
N-(2-chloro-4,6-dimethoxyphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 53087480
N-(2-chloro-4,6-dimethoxyphenyl)propanamide
CID 38114192
N-methoxy-5-methyl-1H-pyrazole-3-carboxamide
CID 126988470
N-(3,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 20865072
4-chloro-N-(2,4,6-trimethoxyphenyl)benzamide
CID 110778514
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 5402501
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(1,3-dihydroxypropan-2-yl)-1H-pyrazole-3-carboxamide
CID 56872792
N'-(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)-5-methyl-1H-pyrazole-3-carbohydrazide
CID 3321461
N-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 876788
5-methyl-N-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazole-3-carboxamide
CID 47470885
N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-5-methyl-1H-pyrazole-3-carbohydrazide
CID 78901393

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxamide (CID 20918282) is N-(2-chloro-4,6-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxamide is COc1cc(Cl)c(NC(=O)c2cc(C)[nH]n2)c(OC)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is BVJIKJNRKMYKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3/c1-7-4-10(17-16-7)13(18)15-12-9(14)5-8(19-2)6-11(12)20-3/h4-6H,1-3H3,(H,15,18)(H,16,17).
What are the key properties of N-(2-chloro-4,6-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxamide?
N-(2-chloro-4,6-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 295.73 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 20918282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).