5-(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrazole-4-carboxamide

C14H18N6O — CID 95848664

IUPAC5-(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
SMILESCC1(c2[nH]ncc2C(N)=O)CCN(c2ncccn2)CC1
InChIInChI=1S/C14H18N6O/c1-14(11-10(12(15)21)9-18-19-11)3-7-20(8-4-14)13-16-5-2-6-17-13/h2,5-6,9H,3-4,7-8H2,1H3,(H2,15,21)(H,18,19)
InChIKeyIJJNCJQAHRLHII-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.86
Rot. Bonds3

About 5-(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrazole-4-carboxamide

5-(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrazole-4-carboxamide (PubChem CID 95848664) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 5-(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
PubChem CID95848664
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name5-(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
SMILESCC1(c2[nH]ncc2C(N)=O)CCN(c2ncccn2)CC1
InChIInChI=1S/C14H18N6O/c1-14(11-10(12(15)21)9-18-19-11)3-7-20(8-4-14)13-16-5-2-6-17-13/h2,5-6,9H,3-4,7-8H2,1H3,(H2,15,21)(H,18,19)
InChIKeyIJJNCJQAHRLHII-UHFFFAOYSA-N
XLogP0.86
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)-1H-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-(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrazole-4-carboxamide (CID 95848664) is 5-(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrazole-4-carboxamide is CC1(c2[nH]ncc2C(N)=O)CCN(c2ncccn2)CC1.
What is the InChIKey of 5-(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is IJJNCJQAHRLHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-14(11-10(12(15)21)9-18-19-11)3-7-20(8-4-14)13-16-5-2-6-17-13/h2,5-6,9H,3-4,7-8H2,1H3,(H2,15,21)(H,18,19).
What are the key properties of 5-(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrazole-4-carboxamide?
5-(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 95848664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).