5-amino-N-(2-chloro-5-methoxyphenyl)-1-methylpyrazole-4-carboxamide

C12H13ClN4O2 — CID 115330655

IUPAC5-amino-N-(2-chloro-5-methoxyphenyl)-1-methylpyrazole-4-carboxamide
SMILESCOc1ccc(Cl)c(NC(=O)c2cnn(C)c2N)c1
InChIInChI=1S/C12H13ClN4O2/c1-17-11(14)8(6-15-17)12(18)16-10-5-7(19-2)3-4-9(10)13/h3-6H,14H2,1-2H3,(H,16,18)
InChIKeyVFXONZFRFLLCET-UHFFFAOYSA-N
MW280.72 g/mol
LogP1.92
Rot. Bonds3

About 5-amino-N-(2-chloro-5-methoxyphenyl)-1-methylpyrazole-4-carboxamide

5-amino-N-(2-chloro-5-methoxyphenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 115330655) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 5-amino-N-(2-chloro-5-methoxyphenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-chloro-5-methoxyphenyl)-1-methylpyrazole-4-carboxamide
PubChem CID115330655
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC Name5-amino-N-(2-chloro-5-methoxyphenyl)-1-methylpyrazole-4-carboxamide
SMILESCOc1ccc(Cl)c(NC(=O)c2cnn(C)c2N)c1
InChIInChI=1S/C12H13ClN4O2/c1-17-11(14)8(6-15-17)12(18)16-10-5-7(19-2)3-4-9(10)13/h3-6H,14H2,1-2H3,(H,16,18)
InChIKeyVFXONZFRFLLCET-UHFFFAOYSA-N
XLogP1.92
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(2-chloro-5-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 81242456
4-amino-3,5-dichloro-N-(2-chloro-5-methoxyphenyl)benzamide
CID 82810855
methyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]benzoate
CID 82546289
2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-5-methoxybenzoic acid
CID 115410984
N-(2-chloro-5-methoxyphenyl)-2,5-dihydroxybenzamide
CID 107722765
N-(2,5-dichlorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 110864104
N-(5-amino-2-chlorophenyl)-2-hydroxy-4-methoxybenzamide
CID 43548769
2-amino-N-(2-chloro-5-methylphenyl)-5-methoxybenzamide
CID 107624036
5-amino-N-(4-bromo-2,3-dichlorophenyl)-1-methylpyrazole-4-carboxamide
CID 107792556
5-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-4-carboxamide
CID 104625471
5-amino-N-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazole-4-carboxamide
CID 82545915
N-(2-chloro-5-methoxyphenyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81237548

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-chloro-5-methoxyphenyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2-chloro-5-methoxyphenyl)-1-methylpyrazole-4-carboxamide (CID 115330655) is 5-amino-N-(2-chloro-5-methoxyphenyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2-chloro-5-methoxyphenyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2-chloro-5-methoxyphenyl)-1-methylpyrazole-4-carboxamide is COc1ccc(Cl)c(NC(=O)c2cnn(C)c2N)c1.
What is the InChIKey of 5-amino-N-(2-chloro-5-methoxyphenyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is VFXONZFRFLLCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-17-11(14)8(6-15-17)12(18)16-10-5-7(19-2)3-4-9(10)13/h3-6H,14H2,1-2H3,(H,16,18).
What are the key properties of 5-amino-N-(2-chloro-5-methoxyphenyl)-1-methylpyrazole-4-carboxamide?
5-amino-N-(2-chloro-5-methoxyphenyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 280.72 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-chloro-5-methoxyphenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 115330655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).