5-amino-3-(3-chloroanilino)-1H-pyrazole-4-carboxamide

C10H10ClN5O — CID 86698956

IUPAC5-amino-3-(3-chloroanilino)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(Nc2cccc(Cl)c2)n[nH]c1N
InChIInChI=1S/C10H10ClN5O/c11-5-2-1-3-6(4-5)14-10-7(9(13)17)8(12)15-16-10/h1-4H,(H2,13,17)(H4,12,14,15,16)
InChIKeyBVEAFDFDRREOQB-UHFFFAOYSA-N
MW251.68 g/mol
LogP1.49
Rot. Bonds3

About 5-amino-3-(3-chloroanilino)-1H-pyrazole-4-carboxamide

5-amino-3-(3-chloroanilino)-1H-pyrazole-4-carboxamide (PubChem CID 86698956) has the molecular formula C10H10ClN5O and a molecular weight of 251.68 g/mol. Its IUPAC name is 5-amino-3-(3-chloroanilino)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-(3-chloroanilino)-1H-pyrazole-4-carboxamide
PubChem CID86698956
Molecular FormulaC10H10ClN5O
Molecular Weight251.68 g/mol
Exact Mass251.06
IUPAC Name5-amino-3-(3-chloroanilino)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(Nc2cccc(Cl)c2)n[nH]c1N
InChIInChI=1S/C10H10ClN5O/c11-5-2-1-3-6(4-5)14-10-7(9(13)17)8(12)15-16-10/h1-4H,(H2,13,17)(H4,12,14,15,16)
InChIKeyBVEAFDFDRREOQB-UHFFFAOYSA-N
XLogP1.49
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 51.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-amino-3-(3-chloroanilino)-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-1-(3-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 2578228
5-amino-3-(methylamino)-N-phenyl-1H-pyrazole-4-carboxamide
CID 46948874
4H-Pyrazolo(3,4-d)pyrimidin-4-one, 1,5-dihydro-5-amino-6-((4-chlorophenyl)amino)-
CID 3072250
4H-Pyrazolo(3,4-d)pyrimidin-4-one, 1,5-dihydro-5-amino-6-((2-chlorophenyl)amino)-
CID 3072251
5-Anilino-3,7-dihydropyrazolo[5,4-d]triazin-4-one
CID 171350945
5-amino-3-((4-chlorophenyl)amino)-1H-pyrazole-4-carbonitrile
CID 8812953
5-amino-3-((3-chloro-4-fluorophenyl)amino)-N-phenyl-1h-pyrazole-4-carboxamide
CID 164608597
5-amino-N-(4-fluorophenyl)-3-((4-fluorophenyl)amino)-1h-pyrazole-4-carboxamide
CID 164608611
5-amino-N-(3-chloro-4-fluorophenyl)-3-((3-chlorophenyl)amino)-1h-pyrazole-4-carboxamide
CID 164608622
5-Amino-3-(phenylamino)-1h-pyrazole-4-carboxamide
CID 2357212
4-hydroxy-N-phenyl-1H-pyrazolo[3,4-d]pyrimidin-3-amine
CID 135577998
N-(4-chlorophenyl)-3-imino-5-methylsulfanyl-1,2-dihydropyrazole-4-carboxamide
CID 392156

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(3-chloroanilino)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-(3-chloroanilino)-1H-pyrazole-4-carboxamide (CID 86698956) is 5-amino-3-(3-chloroanilino)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-(3-chloroanilino)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-(3-chloroanilino)-1H-pyrazole-4-carboxamide is NC(=O)c1c(Nc2cccc(Cl)c2)n[nH]c1N.
What is the InChIKey of 5-amino-3-(3-chloroanilino)-1H-pyrazole-4-carboxamide?
The InChIKey is BVEAFDFDRREOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O/c11-5-2-1-3-6(4-5)14-10-7(9(13)17)8(12)15-16-10/h1-4H,(H2,13,17)(H4,12,14,15,16).
What are the key properties of 5-amino-3-(3-chloroanilino)-1H-pyrazole-4-carboxamide?
5-amino-3-(3-chloroanilino)-1H-pyrazole-4-carboxamide has a molecular weight of 251.68 g/mol, XLogP of 1.49, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(3-chloroanilino)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 86698956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).