5-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide

C15H20N6O — CID 110257825

IUPAC5-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1cn[nH]c1C1CCCN1c1nc(C)cc(C)n1
InChIInChI=1S/C15H20N6O/c1-9-7-10(2)19-15(18-9)21-6-4-5-12(21)13-11(8-17-20-13)14(22)16-3/h7-8,12H,4-6H2,1-3H3,(H,16,22)(H,17,20)
InChIKeyRAPIOWBUSBANPU-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.52
Rot. Bonds3

About 5-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide

5-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide (PubChem CID 110257825) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 5-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide
PubChem CID110257825
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name5-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1cn[nH]c1C1CCCN1c1nc(C)cc(C)n1
InChIInChI=1S/C15H20N6O/c1-9-7-10(2)19-15(18-9)21-6-4-5-12(21)13-11(8-17-20-13)14(22)16-3/h7-8,12H,4-6H2,1-3H3,(H,16,22)(H,17,20)
InChIKeyRAPIOWBUSBANPU-UHFFFAOYSA-N
XLogP1.52
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-N-methyl-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-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide (CID 110257825) is 5-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide is CNC(=O)c1cn[nH]c1C1CCCN1c1nc(C)cc(C)n1.
What is the InChIKey of 5-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is RAPIOWBUSBANPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-9-7-10(2)19-15(18-9)21-6-4-5-12(21)13-11(8-17-20-13)14(22)16-3/h7-8,12H,4-6H2,1-3H3,(H,16,22)(H,17,20).
What are the key properties of 5-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide?
5-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 300.37 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 110257825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).