3-amino-4-chloro-N,1-dimethylpyrazole-5-carboxamide

C6H9ClN4O — CID 166985904

IUPAC3-amino-4-chloro-N,1-dimethylpyrazole-5-carboxamide
SMILESCNC(=O)c1c(Cl)c(N)nn1C
InChIInChI=1S/C6H9ClN4O/c1-9-6(12)4-3(7)5(8)10-11(4)2/h1-2H3,(H2,8,10)(H,9,12)
InChIKeyXQHNXPRKAZTHJU-UHFFFAOYSA-N
MW188.62 g/mol
LogP0.02
Rot. Bonds1

About 3-amino-4-chloro-N,1-dimethylpyrazole-5-carboxamide

3-amino-4-chloro-N,1-dimethylpyrazole-5-carboxamide (PubChem CID 166985904) has the molecular formula C6H9ClN4O and a molecular weight of 188.62 g/mol. Its IUPAC name is 3-amino-4-chloro-N,1-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-4-chloro-N,1-dimethylpyrazole-5-carboxamide
PubChem CID166985904
Molecular FormulaC6H9ClN4O
Molecular Weight188.62 g/mol
Exact Mass188.05
IUPAC Name3-amino-4-chloro-N,1-dimethylpyrazole-5-carboxamide
SMILESCNC(=O)c1c(Cl)c(N)nn1C
InChIInChI=1S/C6H9ClN4O/c1-9-6(12)4-3(7)5(8)10-11(4)2/h1-2H3,(H2,8,10)(H,9,12)
InChIKeyXQHNXPRKAZTHJU-UHFFFAOYSA-N
XLogP0.02
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.62
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-4-chloro-N,1-dimethylpyrazole-5-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

4-chloro-N,1-dimethylpyrazole-5-carboxamide
CID 17144538
1-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-3-methylthiourea
CID 843640
N-(3-amino-5-bromopyrazin-2-yl)-3-tert-butyl-4-chloro-1-methylpyrazole-5-carboxamide
CID 86657413
5-amino-N,1,4-trimethylpyrazole-3-carboxamide
CID 22977829
4-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide
CID 19476931
4-amino-N-methyl-1-propylpyrazole-5-carboxamide
CID 132586626
4-amino-N,3-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole-5-carboxamide
CID 67267294
4-chloro-1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-5-carboxamide
CID 3604338
3-amino-4-iodo-1-methylpyrazole-5-carboxylic acid;hydrochloride
CID 102565500
2-amino-N-methylimidazo[1,2-b]pyridazine-3-carboxamide
CID 145057040
N-(4-acetylphenyl)-4-chloro-1,3-dimethylpyrazole-5-carboxamide
CID 19476903
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(methylamino)ethanone
CID 83831960

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N,1-dimethylpyrazole-5-carboxamide?
The IUPAC name of 3-amino-4-chloro-N,1-dimethylpyrazole-5-carboxamide (CID 166985904) is 3-amino-4-chloro-N,1-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-4-chloro-N,1-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 3-amino-4-chloro-N,1-dimethylpyrazole-5-carboxamide is CNC(=O)c1c(Cl)c(N)nn1C.
What is the InChIKey of 3-amino-4-chloro-N,1-dimethylpyrazole-5-carboxamide?
The InChIKey is XQHNXPRKAZTHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN4O/c1-9-6(12)4-3(7)5(8)10-11(4)2/h1-2H3,(H2,8,10)(H,9,12).
What are the key properties of 3-amino-4-chloro-N,1-dimethylpyrazole-5-carboxamide?
3-amino-4-chloro-N,1-dimethylpyrazole-5-carboxamide has a molecular weight of 188.62 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N,1-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 166985904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).