N-(2-amino-4-chlorophenyl)-1,5-dimethylpyrazole-4-carboxamide

C12H13ClN4O — CID 28776782

IUPACN-(2-amino-4-chlorophenyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Cl)cc2N)cnn1C
InChIInChI=1S/C12H13ClN4O/c1-7-9(6-15-17(7)2)12(18)16-11-4-3-8(13)5-10(11)14/h3-6H,14H2,1-2H3,(H,16,18)
InChIKeyLRRKUGDZZYXLBW-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.22
Rot. Bonds2

About N-(2-amino-4-chlorophenyl)-1,5-dimethylpyrazole-4-carboxamide

N-(2-amino-4-chlorophenyl)-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 28776782) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-1,5-dimethylpyrazole-4-carboxamide
PubChem CID28776782
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC NameN-(2-amino-4-chlorophenyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Cl)cc2N)cnn1C
InChIInChI=1S/C12H13ClN4O/c1-7-9(6-15-17(7)2)12(18)16-11-4-3-8(13)5-10(11)14/h3-6H,14H2,1-2H3,(H,16,18)
InChIKeyLRRKUGDZZYXLBW-UHFFFAOYSA-N
XLogP2.22
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.22
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-(2,5-dichlorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 110864104
N-(3-amino-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28776839
N-(2-amino-4-chlorophenyl)-1-methylpyrazole-4-carboxamide
CID 28742303
N-(4-bromo-2-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28780531
N-(2-fluoro-4-sulfamoylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 43134041
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methylbenzenesulfonyl chloride
CID 43098424
N-(2-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide
CID 81109928
N-(2-amino-4-chlorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62830415
4-amino-N-(5-chloro-2-methylphenyl)-1-methylpyrazole-5-carboxamide
CID 65356207
N-(2-amino-4-chlorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119916
4-[(2,4-dichlorophenyl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496071
N-(5-amino-4-methyl-2-pyridinyl)-1,5-dimethylpyrazole-4-carboxamide
CID 61292593

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-1,5-dimethylpyrazole-4-carboxamide (CID 28776782) is N-(2-amino-4-chlorophenyl)-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(Cl)cc2N)cnn1C.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is LRRKUGDZZYXLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-7-9(6-15-17(7)2)12(18)16-11-4-3-8(13)5-10(11)14/h3-6H,14H2,1-2H3,(H,16,18).
What are the key properties of N-(2-amino-4-chlorophenyl)-1,5-dimethylpyrazole-4-carboxamide?
N-(2-amino-4-chlorophenyl)-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 264.72 g/mol, XLogP of 2.22, 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)-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 28776782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).