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

C7H11N3O — CID 134298075

IUPAC4-propan-2-yl-1H-pyrazole-5-carboxamide
SMILESCC(C)c1cn[nH]c1C(N)=O
InChIInChI=1S/C7H11N3O/c1-4(2)5-3-9-10-6(5)7(8)11/h3-4H,1-2H3,(H2,8,11)(H,9,10)
InChIKeyZFGAZIIJQRXHRX-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.63
Rot. Bonds2

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

4-propan-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 134298075) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 4-propan-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-propan-2-yl-1H-pyrazole-5-carboxamide
PubChem CID134298075
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name4-propan-2-yl-1H-pyrazole-5-carboxamide
SMILESCC(C)c1cn[nH]c1C(N)=O
InChIInChI=1S/C7H11N3O/c1-4(2)5-3-9-10-6(5)7(8)11/h3-4H,1-2H3,(H2,8,11)(H,9,10)
InChIKeyZFGAZIIJQRXHRX-UHFFFAOYSA-N
XLogP0.63
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-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-propan-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-propan-2-yl-1H-pyrazole-5-carboxamide (CID 134298075) is 4-propan-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-propan-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-propan-2-yl-1H-pyrazole-5-carboxamide is CC(C)c1cn[nH]c1C(N)=O.
What is the InChIKey of 4-propan-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is ZFGAZIIJQRXHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-4(2)5-3-9-10-6(5)7(8)11/h3-4H,1-2H3,(H2,8,11)(H,9,10).
What are the key properties of 4-propan-2-yl-1H-pyrazole-5-carboxamide?
4-propan-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 153.18 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 134298075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).