1,4-di(propan-2-yl)pyrazole-3-carboxamide

C10H17N3O — CID 90145856

IUPAC1,4-di(propan-2-yl)pyrazole-3-carboxamide
SMILESCC(C)c1cn(C(C)C)nc1C(N)=O
InChIInChI=1S/C10H17N3O/c1-6(2)8-5-13(7(3)4)12-9(8)10(11)14/h5-7H,1-4H3,(H2,11,14)
InChIKeySSFDFSIPZPGARR-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.69
Rot. Bonds3

About 1,4-di(propan-2-yl)pyrazole-3-carboxamide

1,4-di(propan-2-yl)pyrazole-3-carboxamide (PubChem CID 90145856) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,4-di(propan-2-yl)pyrazole-3-carboxamide
PubChem CID90145856
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1,4-di(propan-2-yl)pyrazole-3-carboxamide
SMILESCC(C)c1cn(C(C)C)nc1C(N)=O
InChIInChI=1S/C10H17N3O/c1-6(2)8-5-13(7(3)4)12-9(8)10(11)14/h5-7H,1-4H3,(H2,11,14)
InChIKeySSFDFSIPZPGARR-UHFFFAOYSA-N
XLogP1.69
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,4-di(propan-2-yl)pyrazole-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 1,4-di(propan-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 1,4-di(propan-2-yl)pyrazole-3-carboxamide (CID 90145856) is 1,4-di(propan-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1,4-di(propan-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1,4-di(propan-2-yl)pyrazole-3-carboxamide is CC(C)c1cn(C(C)C)nc1C(N)=O.
What is the InChIKey of 1,4-di(propan-2-yl)pyrazole-3-carboxamide?
The InChIKey is SSFDFSIPZPGARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-6(2)8-5-13(7(3)4)12-9(8)10(11)14/h5-7H,1-4H3,(H2,11,14).
What are the key properties of 1,4-di(propan-2-yl)pyrazole-3-carboxamide?
1,4-di(propan-2-yl)pyrazole-3-carboxamide has a molecular weight of 195.27 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 90145856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).