[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone

C19H22N6O — CID 97138367

IUPAC[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccncc2)n[nH]1)N1CCCC[C@H]1CCn1cccn1
InChIInChI=1S/C19H22N6O/c26-19(18-14-17(22-23-18)15-5-9-20-10-6-15)25-12-2-1-4-16(25)7-13-24-11-3-8-21-24/h3,5-6,8-11,14,16H,1-2,4,7,12-13H2,(H,22,23)/t16-/m0/s1
InChIKeyNIHLODVKAVRCJF-INIZCTEOSA-N
MW350.43 g/mol
LogP2.75
Rot. Bonds5

About [(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone

[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone (PubChem CID 97138367) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is [(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
PubChem CID97138367
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccncc2)n[nH]1)N1CCCC[C@H]1CCn1cccn1
InChIInChI=1S/C19H22N6O/c26-19(18-14-17(22-23-18)15-5-9-20-10-6-15)25-12-2-1-4-16(25)7-13-24-11-3-8-21-24/h3,5-6,8-11,14,16H,1-2,4,7,12-13H2,(H,22,23)/t16-/m0/s1
InChIKeyNIHLODVKAVRCJF-INIZCTEOSA-N
XLogP2.75
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-phenylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 70780089
[5-(difluoromethyl)-1H-pyrazol-3-yl]-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 91773356
(5-phenyl-1H-pyrazol-4-yl)-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 97146479
[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 97187193
1,3-oxazol-5-yl-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 91796110
6-methyl-4-[(2R)-2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 99932907
3-[2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 77086103
[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 124874532
[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 70729734
(3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 97148859
(5-cyclopropyl-1,3-oxazol-4-yl)-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 96581034
1-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 95553144

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone?
The IUPAC name of [(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone (CID 97138367) is [(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone is O=C(c1cc(-c2ccncc2)n[nH]1)N1CCCC[C@H]1CCn1cccn1.
What is the InChIKey of [(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone?
The InChIKey is NIHLODVKAVRCJF-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N6O/c26-19(18-14-17(22-23-18)15-5-9-20-10-6-15)25-12-2-1-4-16(25)7-13-24-11-3-8-21-24/h3,5-6,8-11,14,16H,1-2,4,7,12-13H2,(H,22,23)/t16-/m0/s1.
What are the key properties of [(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone?
[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone has a molecular weight of 350.43 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 97138367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).