5-methyl-1-propyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide

C17H24N6O — CID 45197612

IUPAC5-methyl-1-propyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NC2CCCN(c3ncccn3)C2)c1C
InChIInChI=1S/C17H24N6O/c1-3-9-23-13(2)15(11-20-23)16(24)21-14-6-4-10-22(12-14)17-18-7-5-8-19-17/h5,7-8,11,14H,3-4,6,9-10,12H2,1-2H3,(H,21,24)
InChIKeySQXRTFBPTICRDL-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.79
Rot. Bonds5

About 5-methyl-1-propyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide

5-methyl-1-propyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide (PubChem CID 45197612) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-methyl-1-propyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-propyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide
PubChem CID45197612
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name5-methyl-1-propyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NC2CCCN(c3ncccn3)C2)c1C
InChIInChI=1S/C17H24N6O/c1-3-9-23-13(2)15(11-20-23)16(24)21-14-6-4-10-22(12-14)17-18-7-5-8-19-17/h5,7-8,11,14H,3-4,6,9-10,12H2,1-2H3,(H,21,24)
InChIKeySQXRTFBPTICRDL-UHFFFAOYSA-N
XLogP1.79
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methyl-1-propyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-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 5-methyl-1-propyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-propyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide (CID 45197612) is 5-methyl-1-propyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-propyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-propyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide is CCCn1ncc(C(=O)NC2CCCN(c3ncccn3)C2)c1C.
What is the InChIKey of 5-methyl-1-propyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide?
The InChIKey is SQXRTFBPTICRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-3-9-23-13(2)15(11-20-23)16(24)21-14-6-4-10-22(12-14)17-18-7-5-8-19-17/h5,7-8,11,14H,3-4,6,9-10,12H2,1-2H3,(H,21,24).
What are the key properties of 5-methyl-1-propyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide?
5-methyl-1-propyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 45197612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).