5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide

C12H13ClN4O2 — CID 43337149

IUPAC5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cn[nH]c1N
InChIInChI=1S/C12H13ClN4O2/c1-6-3-9(10(19-2)4-8(6)13)16-12(18)7-5-15-17-11(7)14/h3-5H,1-2H3,(H,16,18)(H3,14,15,17)
InChIKeyMOIQOVNHHHZPNB-UHFFFAOYSA-N
MW280.72 g/mol
LogP2.21
Rot. Bonds3

About 5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide

5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 43337149) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
PubChem CID43337149
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC Name5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cn[nH]c1N
InChIInChI=1S/C12H13ClN4O2/c1-6-3-9(10(19-2)4-8(6)13)16-12(18)7-5-15-17-11(7)14/h3-5H,1-2H3,(H,16,18)(H3,14,15,17)
InChIKeyMOIQOVNHHHZPNB-UHFFFAOYSA-N
XLogP2.21
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
CID 43532961
6-amino-5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 62153748
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)benzamide
CID 60680092
3,5-diamino-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
CID 61091211
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-difluorobenzamide
CID 4852133
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylbenzamide
CID 2107284
4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270694
2-amino-6-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 62153569
N-(4-chloro-2-methoxy-5-methylphenyl)-2,5-dihydroxybenzamide
CID 103891512
N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypyridine-3-carboxamide
CID 63864045
2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4,5-trimethoxybenzamide
CID 1190293
2-amino-6-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
CID 63658199

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide (CID 43337149) is 5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is MOIQOVNHHHZPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-6-3-9(10(19-2)4-8(6)13)16-12(18)7-5-15-17-11(7)14/h3-5H,1-2H3,(H,16,18)(H3,14,15,17).
What are the key properties of 5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide?
5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 280.72 g/mol, XLogP of 2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43337149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).