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

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).