N-(2-amino-4-chlorophenyl)-1-methylpyrazole-4-carboxamide

C11H11ClN4O — CID 28742303

IUPACN-(2-amino-4-chlorophenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(Cl)cc2N)cn1
InChIInChI=1S/C11H11ClN4O/c1-16-6-7(5-14-16)11(17)15-10-3-2-8(12)4-9(10)13/h2-6H,13H2,1H3,(H,15,17)
InChIKeySBNMIVRNNMVWDY-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.91
Rot. Bonds2

About N-(2-amino-4-chlorophenyl)-1-methylpyrazole-4-carboxamide

N-(2-amino-4-chlorophenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 28742303) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-1-methylpyrazole-4-carboxamide
PubChem CID28742303
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC NameN-(2-amino-4-chlorophenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(Cl)cc2N)cn1
InChIInChI=1S/C11H11ClN4O/c1-16-6-7(5-14-16)11(17)15-10-3-2-8(12)4-9(10)13/h2-6H,13H2,1H3,(H,15,17)
InChIKeySBNMIVRNNMVWDY-UHFFFAOYSA-N
XLogP1.91
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 9209583
N-(4-amino-2-methoxyphenyl)-1-methylpyrazole-4-carboxamide
CID 28742335
N-(2-amino-4-chlorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28776782
3-fluoro-4-[(1-methylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride
CID 43101403
N-(2-amino-4-chlorophenyl)-4-tert-butylbenzamide
CID 16777469
N-(2-carbamoylphenyl)-1-methylpyrazole-4-carboxamide
CID 47011305
N-(4-hydroxy-2-methylsulfanylphenyl)-1-methylpyrazole-4-carboxamide
CID 91653086
N-(4-bromo-2-carbamothioylphenyl)-1-methylpyrazole-4-carboxamide
CID 82703356
N-(2-amino-4-chlorophenyl)pyrazine-2-carboxamide
CID 16777409
N-(3,5-dichloro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide
CID 82885113
N-(2-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide
CID 82757494
N-[2-bromo-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-1-methylpyrazole-4-carboxamide
CID 107790494

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-1-methylpyrazole-4-carboxamide (CID 28742303) is N-(2-amino-4-chlorophenyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccc(Cl)cc2N)cn1.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is SBNMIVRNNMVWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-16-6-7(5-14-16)11(17)15-10-3-2-8(12)4-9(10)13/h2-6H,13H2,1H3,(H,15,17).
What are the key properties of N-(2-amino-4-chlorophenyl)-1-methylpyrazole-4-carboxamide?
N-(2-amino-4-chlorophenyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 250.69 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 28742303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).