N-(3-chloro-4-methoxyphenyl)-N,1-dimethylpyrazole-4-carboxamide

C13H14ClN3O2 — CID 71920533

IUPACN-(3-chloro-4-methoxyphenyl)-N,1-dimethylpyrazole-4-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2cnn(C)c2)cc1Cl
InChIInChI=1S/C13H14ClN3O2/c1-16-8-9(7-15-16)13(18)17(2)10-4-5-12(19-3)11(14)6-10/h4-8H,1-3H3
InChIKeyNDVNVGZZFPKXJP-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.36
Rot. Bonds3

About N-(3-chloro-4-methoxyphenyl)-N,1-dimethylpyrazole-4-carboxamide

N-(3-chloro-4-methoxyphenyl)-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 71920533) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-N,1-dimethylpyrazole-4-carboxamide
PubChem CID71920533
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC NameN-(3-chloro-4-methoxyphenyl)-N,1-dimethylpyrazole-4-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2cnn(C)c2)cc1Cl
InChIInChI=1S/C13H14ClN3O2/c1-16-8-9(7-15-16)13(18)17(2)10-4-5-12(19-3)11(14)6-10/h4-8H,1-3H3
InChIKeyNDVNVGZZFPKXJP-UHFFFAOYSA-N
XLogP2.36
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-4-(dimethylamino)-N-methylpyridine-2-carboxamide
CID 86801277
N-(3-chloro-4-methoxyphenyl)-N,5-dimethyl-1-phenylpyrazole-3-carboxamide
CID 99714138
N-(3-carbamothioylphenyl)-N,1-dimethylpyrazole-4-carboxamide
CID 62970121
1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119807505
(2-methoxy-4-methylphenyl) 1-methylpyrazole-4-carboxylate
CID 47118840
4-[(3-chloro-4-methoxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674248
N-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 172904226
N,1-dimethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 131067296
1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclohexane-1-carboxamide
CID 119337228
1-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 115182589
2-chloro-N-(4-chloro-3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 154879633
2-amino-N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methylpropanamide
CID 115179694

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-N,1-dimethylpyrazole-4-carboxamide (CID 71920533) is N-(3-chloro-4-methoxyphenyl)-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-N,1-dimethylpyrazole-4-carboxamide is COc1ccc(N(C)C(=O)c2cnn(C)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is NDVNVGZZFPKXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-16-8-9(7-15-16)13(18)17(2)10-4-5-12(19-3)11(14)6-10/h4-8H,1-3H3.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-N,1-dimethylpyrazole-4-carboxamide?
N-(3-chloro-4-methoxyphenyl)-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 279.73 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 71920533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).