4,5-diamino-N,N,1-trimethylpyrazole-3-carboxamide

C7H13N5O — CID 20772834

IUPAC4,5-diamino-N,N,1-trimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1nn(C)c(N)c1N
InChIInChI=1S/C7H13N5O/c1-11(2)7(13)5-4(8)6(9)12(3)10-5/h8-9H2,1-3H3
InChIKeyCCYLBOFTCVXRCU-UHFFFAOYSA-N
MW183.22 g/mol
LogP-0.71
Rot. Bonds1

About 4,5-diamino-N,N,1-trimethylpyrazole-3-carboxamide

4,5-diamino-N,N,1-trimethylpyrazole-3-carboxamide (PubChem CID 20772834) has the molecular formula C7H13N5O and a molecular weight of 183.22 g/mol. Its IUPAC name is 4,5-diamino-N,N,1-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4,5-diamino-N,N,1-trimethylpyrazole-3-carboxamide
PubChem CID20772834
Molecular FormulaC7H13N5O
Molecular Weight183.22 g/mol
Exact Mass183.11
IUPAC Name4,5-diamino-N,N,1-trimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1nn(C)c(N)c1N
InChIInChI=1S/C7H13N5O/c1-11(2)7(13)5-4(8)6(9)12(3)10-5/h8-9H2,1-3H3
InChIKeyCCYLBOFTCVXRCU-UHFFFAOYSA-N
XLogP-0.71
TPSA90.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4,5-diamino-N,N,1-trimethylpyrazole-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 4,5-diamino-N,N,1-trimethylpyrazole-3-carboxamide?
The IUPAC name of 4,5-diamino-N,N,1-trimethylpyrazole-3-carboxamide (CID 20772834) is 4,5-diamino-N,N,1-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4,5-diamino-N,N,1-trimethylpyrazole-3-carboxamide?
The canonical SMILES for 4,5-diamino-N,N,1-trimethylpyrazole-3-carboxamide is CN(C)C(=O)c1nn(C)c(N)c1N.
What is the InChIKey of 4,5-diamino-N,N,1-trimethylpyrazole-3-carboxamide?
The InChIKey is CCYLBOFTCVXRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-11(2)7(13)5-4(8)6(9)12(3)10-5/h8-9H2,1-3H3.
What are the key properties of 4,5-diamino-N,N,1-trimethylpyrazole-3-carboxamide?
4,5-diamino-N,N,1-trimethylpyrazole-3-carboxamide has a molecular weight of 183.22 g/mol, XLogP of -0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diamino-N,N,1-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 20772834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).