4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide

C9H16N4O — CID 65355148

IUPAC4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide
SMILESCCN(CC)C(=O)c1nn(C)cc1N
InChIInChI=1S/C9H16N4O/c1-4-13(5-2)9(14)8-7(10)6-12(3)11-8/h6H,4-5,10H2,1-3H3
InChIKeyUSSGEPZDLUABBS-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.48
Rot. Bonds3

About 4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide

4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide (PubChem CID 65355148) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide
PubChem CID65355148
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide
SMILESCCN(CC)C(=O)c1nn(C)cc1N
InChIInChI=1S/C9H16N4O/c1-4-13(5-2)9(14)8-7(10)6-12(3)11-8/h6H,4-5,10H2,1-3H3
InChIKeyUSSGEPZDLUABBS-UHFFFAOYSA-N
XLogP0.48
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-amino-N,N-diethyl-1-methylpyrazole-3-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 4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide (CID 65355148) is 4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide is CCN(CC)C(=O)c1nn(C)cc1N.
What is the InChIKey of 4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide?
The InChIKey is USSGEPZDLUABBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-4-13(5-2)9(14)8-7(10)6-12(3)11-8/h6H,4-5,10H2,1-3H3.
What are the key properties of 4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide?
4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 65355148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).