(3R)-N-benzyl-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide

C25H24ClN5O — CID 95073731

IUPAC(3R)-N-benzyl-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1CCCN(c2nccn3nc(-c4ccccc4Cl)cc23)C1
InChIInChI=1S/C25H24ClN5O/c26-21-11-5-4-10-20(21)22-15-23-24(27-12-14-31(23)29-22)30-13-6-9-19(17-30)25(32)28-16-18-7-2-1-3-8-18/h1-5,7-8,10-12,14-15,19H,6,9,13,16-17H2,(H,28,32)/t19-/m1/s1
InChIKeyPHZMHCCJPYXOPY-LJQANCHMSA-N
MW445.95 g/mol
LogP4.58
Rot. Bonds5

About (3R)-N-benzyl-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide

(3R)-N-benzyl-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide (PubChem CID 95073731) has the molecular formula C25H24ClN5O and a molecular weight of 445.95 g/mol. Its IUPAC name is (3R)-N-benzyl-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-benzyl-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
PubChem CID95073731
Molecular FormulaC25H24ClN5O
Molecular Weight445.95 g/mol
Exact Mass445.17
IUPAC Name(3R)-N-benzyl-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1CCCN(c2nccn3nc(-c4ccccc4Cl)cc23)C1
InChIInChI=1S/C25H24ClN5O/c26-21-11-5-4-10-20(21)22-15-23-24(27-12-14-31(23)29-22)30-13-6-9-19(17-30)25(32)28-16-18-7-2-1-3-8-18/h1-5,7-8,10-12,14-15,19H,6,9,13,16-17H2,(H,28,32)/t19-/m1/s1
InChIKeyPHZMHCCJPYXOPY-LJQANCHMSA-N
XLogP4.58
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.95
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 53086065
(3S)-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(3,5-difluorophenyl)methyl]piperidine-3-carboxamide
CID 95073759
N-[(2-chlorophenyl)methyl]-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
CID 53086050
(3S)-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 95073786
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
CID 95073750
(3S)-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-cyclopentylpiperidine-3-carboxamide
CID 95073723
(3S)-N-butyl-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
CID 95073730
(3S)-N-benzyl-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
CID 92892016
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-[(4-fluorophenyl)methyl]-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
CID 95073624
(3S)-1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 92892088
(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)-N-benzyl-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-benzyl-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide (CID 95073731) is (3R)-N-benzyl-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-benzyl-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-benzyl-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide is O=C(NCc1ccccc1)[C@@H]1CCCN(c2nccn3nc(-c4ccccc4Cl)cc23)C1.
What is the InChIKey of (3R)-N-benzyl-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide?
The InChIKey is PHZMHCCJPYXOPY-LJQANCHMSA-N. The full InChI is InChI=1S/C25H24ClN5O/c26-21-11-5-4-10-20(21)22-15-23-24(27-12-14-31(23)29-22)30-13-6-9-19(17-30)25(32)28-16-18-7-2-1-3-8-18/h1-5,7-8,10-12,14-15,19H,6,9,13,16-17H2,(H,28,32)/t19-/m1/s1.
What are the key properties of (3R)-N-benzyl-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide?
(3R)-N-benzyl-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide has a molecular weight of 445.95 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95073731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).