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

C27H29N5O — CID 92892016

IUPAC(3S)-N-benzyl-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
SMILESCc1ccc(-c2cc3c(N4CCC[C@H](C(=O)NCc5ccccc5)C4)nccn3n2)cc1C
InChIInChI=1S/C27H29N5O/c1-19-10-11-22(15-20(19)2)24-16-25-26(28-12-14-32(25)30-24)31-13-6-9-23(18-31)27(33)29-17-21-7-4-3-5-8-21/h3-5,7-8,10-12,14-16,23H,6,9,13,17-18H2,1-2H3,(H,29,33)/t23-/m0/s1
InChIKeyZMZLNNBRWZTOSG-QHCPKHFHSA-N
MW439.56 g/mol
LogP4.55
Rot. Bonds5

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

(3S)-N-benzyl-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide (PubChem CID 92892016) has the molecular formula C27H29N5O and a molecular weight of 439.56 g/mol. Its IUPAC name is (3S)-N-benzyl-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-benzyl-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
PubChem CID92892016
Molecular FormulaC27H29N5O
Molecular Weight439.56 g/mol
Exact Mass439.24
IUPAC Name(3S)-N-benzyl-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
SMILESCc1ccc(-c2cc3c(N4CCC[C@H](C(=O)NCc5ccccc5)C4)nccn3n2)cc1C
InChIInChI=1S/C27H29N5O/c1-19-10-11-22(15-20(19)2)24-16-25-26(28-12-14-32(25)30-24)31-13-6-9-23(18-31)27(33)29-17-21-7-4-3-5-8-21/h3-5,7-8,10-12,14-16,23H,6,9,13,17-18H2,1-2H3,(H,29,33)/t23-/m0/s1
InChIKeyZMZLNNBRWZTOSG-QHCPKHFHSA-N
XLogP4.55
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-benzyl-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 50796512
(3S)-1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 92892068
(3R)-N-benzyl-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
CID 95073731
(3S)-N-[(4-fluorophenyl)methyl]-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
CID 95073624
N-[(3,4-dimethylphenyl)methyl]-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide
CID 50797333
1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 53085986
(3R)-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95073700
[(3R)-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 92892013
(3S)-1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 92892088
(3R)-N-[(4-fluorophenyl)methyl]-1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
CID 92892125
1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 53086001
1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 53086065

Frequently Asked Questions

What is the IUPAC name of (3S)-N-benzyl-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-benzyl-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide (CID 92892016) is (3S)-N-benzyl-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-benzyl-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-benzyl-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide is Cc1ccc(-c2cc3c(N4CCC[C@H](C(=O)NCc5ccccc5)C4)nccn3n2)cc1C.
What is the InChIKey of (3S)-N-benzyl-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide?
The InChIKey is ZMZLNNBRWZTOSG-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H29N5O/c1-19-10-11-22(15-20(19)2)24-16-25-26(28-12-14-32(25)30-24)31-13-6-9-23(18-31)27(33)29-17-21-7-4-3-5-8-21/h3-5,7-8,10-12,14-16,23H,6,9,13,17-18H2,1-2H3,(H,29,33)/t23-/m0/s1.
What are the key properties of (3S)-N-benzyl-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide?
(3S)-N-benzyl-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-benzyl-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 92892016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).