N-cyclopentyl-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide

C25H31N5O — CID 53086071

IUPACN-cyclopentyl-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide
SMILESCc1ccc(-c2cc3c(N4CCC(C(=O)NC5CCCC5)CC4)nccn3n2)c(C)c1
InChIInChI=1S/C25H31N5O/c1-17-7-8-21(18(2)15-17)22-16-23-24(26-11-14-30(23)28-22)29-12-9-19(10-13-29)25(31)27-20-5-3-4-6-20/h7-8,11,14-16,19-20H,3-6,9-10,12-13H2,1-2H3,(H,27,31)
InChIKeyFXXXNKSUCINTAM-UHFFFAOYSA-N
MW417.56 g/mol
LogP4.29
Rot. Bonds4

About N-cyclopentyl-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide

N-cyclopentyl-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide (PubChem CID 53086071) has the molecular formula C25H31N5O and a molecular weight of 417.56 g/mol. Its IUPAC name is N-cyclopentyl-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide
PubChem CID53086071
Molecular FormulaC25H31N5O
Molecular Weight417.56 g/mol
Exact Mass417.25
IUPAC NameN-cyclopentyl-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide
SMILESCc1ccc(-c2cc3c(N4CCC(C(=O)NC5CCCC5)CC4)nccn3n2)c(C)c1
InChIInChI=1S/C25H31N5O/c1-17-7-8-21(18(2)15-17)22-16-23-24(26-11-14-30(23)28-22)29-12-9-19(10-13-29)25(31)27-20-5-3-4-6-20/h7-8,11,14-16,19-20H,3-6,9-10,12-13H2,1-2H3,(H,27,31)
InChIKeyFXXXNKSUCINTAM-UHFFFAOYSA-N
XLogP4.29
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide
CID 50797385
1-[2-(2,5-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
CID 50797440
(3S)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 95073695
(3R)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-pentylpiperidine-3-carboxamide
CID 92892149
(3R)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95073700
(3S)-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-cyclopentylpiperidine-3-carboxamide
CID 95073723
4-(4-benzylpiperidin-1-yl)-2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazine
CID 53333647
1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 53086001
2-(2-methylphenyl)-4-piperidin-1-ylpyrazolo[1,5-a]pyrazine
CID 53333761
N-[(3,4-dimethylphenyl)methyl]-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide
CID 50797333
4-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazine
CID 53333782
2-(2,4-dimethylphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrazolo[1,5-a]pyrazine
CID 53333654

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide (CID 53086071) is N-cyclopentyl-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide is Cc1ccc(-c2cc3c(N4CCC(C(=O)NC5CCCC5)CC4)nccn3n2)c(C)c1.
What is the InChIKey of N-cyclopentyl-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide?
The InChIKey is FXXXNKSUCINTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O/c1-17-7-8-21(18(2)15-17)22-16-23-24(26-11-14-30(23)28-22)29-12-9-19(10-13-29)25(31)27-20-5-3-4-6-20/h7-8,11,14-16,19-20H,3-6,9-10,12-13H2,1-2H3,(H,27,31).
What are the key properties of N-cyclopentyl-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide?
N-cyclopentyl-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide has a molecular weight of 417.56 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53086071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).