(3R)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-pentylpiperidine-3-carboxamide

C25H33N5O — CID 92892149

IUPAC(3R)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-pentylpiperidine-3-carboxamide
SMILESCCCCCNC(=O)[C@@H]1CCCN(c2nccn3nc(-c4ccc(C)cc4C)cc23)C1
InChIInChI=1S/C25H33N5O/c1-4-5-6-11-27-25(31)20-8-7-13-29(17-20)24-23-16-22(28-30(23)14-12-26-24)21-10-9-18(2)15-19(21)3/h9-10,12,14-16,20H,4-8,11,13,17H2,1-3H3,(H,27,31)/t20-/m1/s1
InChIKeyFJXKXWKLYOAGDT-HXUWFJFHSA-N
MW419.57 g/mol
LogP4.54
Rot. Bonds7

About (3R)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-pentylpiperidine-3-carboxamide

(3R)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-pentylpiperidine-3-carboxamide (PubChem CID 92892149) has the molecular formula C25H33N5O and a molecular weight of 419.57 g/mol. Its IUPAC name is (3R)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-pentylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-pentylpiperidine-3-carboxamide
PubChem CID92892149
Molecular FormulaC25H33N5O
Molecular Weight419.57 g/mol
Exact Mass419.27
IUPAC Name(3R)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-pentylpiperidine-3-carboxamide
SMILESCCCCCNC(=O)[C@@H]1CCCN(c2nccn3nc(-c4ccc(C)cc4C)cc23)C1
InChIInChI=1S/C25H33N5O/c1-4-5-6-11-27-25(31)20-8-7-13-29(17-20)24-23-16-22(28-30(23)14-12-26-24)21-10-9-18(2)15-19(21)3/h9-10,12,14-16,20H,4-8,11,13,17H2,1-3H3,(H,27,31)/t20-/m1/s1
InChIKeyFJXKXWKLYOAGDT-HXUWFJFHSA-N
XLogP4.54
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95073700
(3S)-N-butyl-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
CID 95073730
1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 53086001
(3S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
CID 95073691
(3S)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 95073695
1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 50796512
(3S)-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 95073786
N-cyclopentyl-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide
CID 53086071
(3S)-N-benzyl-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
CID 92892016
ethyl (3R)-1-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxylate
CID 95183731
(3R)-N-benzyl-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
CID 95073731
(3S)-1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 92892068

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-pentylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-pentylpiperidine-3-carboxamide (CID 92892149) is (3R)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-pentylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-pentylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-pentylpiperidine-3-carboxamide is CCCCCNC(=O)[C@@H]1CCCN(c2nccn3nc(-c4ccc(C)cc4C)cc23)C1.
What is the InChIKey of (3R)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-pentylpiperidine-3-carboxamide?
The InChIKey is FJXKXWKLYOAGDT-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H33N5O/c1-4-5-6-11-27-25(31)20-8-7-13-29(17-20)24-23-16-22(28-30(23)14-12-26-24)21-10-9-18(2)15-19(21)3/h9-10,12,14-16,20H,4-8,11,13,17H2,1-3H3,(H,27,31)/t20-/m1/s1.
What are the key properties of (3R)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-pentylpiperidine-3-carboxamide?
(3R)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-pentylpiperidine-3-carboxamide has a molecular weight of 419.57 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-pentylpiperidine-3-carboxamide is sourced from PubChem (CID 92892149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).