4-amino-N-propan-2-yl-1H-pyrazole-5-carboxamide

C7H12N4O — CID 63106838

IUPAC4-amino-N-propan-2-yl-1H-pyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1[nH]ncc1N
InChIInChI=1S/C7H12N4O/c1-4(2)10-7(12)6-5(8)3-9-11-6/h3-4H,8H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyHOWRHBVPCUDXCN-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.13
Rot. Bonds2

About 4-amino-N-propan-2-yl-1H-pyrazole-5-carboxamide

4-amino-N-propan-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 63106838) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-amino-N-propan-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-propan-2-yl-1H-pyrazole-5-carboxamide
PubChem CID63106838
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name4-amino-N-propan-2-yl-1H-pyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1[nH]ncc1N
InChIInChI=1S/C7H12N4O/c1-4(2)10-7(12)6-5(8)3-9-11-6/h3-4H,8H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyHOWRHBVPCUDXCN-UHFFFAOYSA-N
XLogP0.13
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-propan-2-yl-1H-pyrazole-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 4-amino-N-propan-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-propan-2-yl-1H-pyrazole-5-carboxamide (CID 63106838) is 4-amino-N-propan-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-propan-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-propan-2-yl-1H-pyrazole-5-carboxamide is CC(C)NC(=O)c1[nH]ncc1N.
What is the InChIKey of 4-amino-N-propan-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is HOWRHBVPCUDXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-4(2)10-7(12)6-5(8)3-9-11-6/h3-4H,8H2,1-2H3,(H,9,11)(H,10,12).
What are the key properties of 4-amino-N-propan-2-yl-1H-pyrazole-5-carboxamide?
4-amino-N-propan-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 168.20 g/mol, XLogP of 0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-propan-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63106838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).