(3S)-N-propyl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide

C18H23N5O2 — CID 92751845

IUPAC(3S)-N-propyl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
SMILESCCCNC(=O)[C@H]1CCCN(C(=O)c2cc(-c3ccccn3)n[nH]2)C1
InChIInChI=1S/C18H23N5O2/c1-2-8-20-17(24)13-6-5-10-23(12-13)18(25)16-11-15(21-22-16)14-7-3-4-9-19-14/h3-4,7,9,11,13H,2,5-6,8,10,12H2,1H3,(H,20,24)(H,21,22)/t13-/m0/s1
InChIKeyWFSJSORRUCZDOD-ZDUSSCGKSA-N
MW341.42 g/mol
LogP1.85
Rot. Bonds5

About (3S)-N-propyl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide

(3S)-N-propyl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide (PubChem CID 92751845) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is (3S)-N-propyl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-propyl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
PubChem CID92751845
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name(3S)-N-propyl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
SMILESCCCNC(=O)[C@H]1CCCN(C(=O)c2cc(-c3ccccn3)n[nH]2)C1
InChIInChI=1S/C18H23N5O2/c1-2-8-20-17(24)13-6-5-10-23(12-13)18(25)16-11-15(21-22-16)14-7-3-4-9-19-14/h3-4,7,9,11,13H,2,5-6,8,10,12H2,1H3,(H,20,24)(H,21,22)/t13-/m0/s1
InChIKeyWFSJSORRUCZDOD-ZDUSSCGKSA-N
XLogP1.85
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-N-propyl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide 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

(3S)-N-[(2S)-butan-2-yl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92892680
N-[(4-methylphenyl)methyl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 50799692
(3R)-N-propan-2-yl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92892697
(3S)-N-cyclopropyl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92892702
(3R)-N-(4-ethylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92892685
(3S)-N-[(4-bromophenyl)methyl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92892742
N-[(5-methylfuran-2-yl)methyl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 46352054
(3R)-N-(3-acetylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92875196
N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 50799939
(3R)-N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 97044702
N-(1,3-benzodioxol-5-ylmethyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 50799718
N-(2-aminoethyl)-1-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119480157

Frequently Asked Questions

What is the IUPAC name of (3S)-N-propyl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-propyl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide (CID 92751845) is (3S)-N-propyl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-propyl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-propyl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide is CCCNC(=O)[C@H]1CCCN(C(=O)c2cc(-c3ccccn3)n[nH]2)C1.
What is the InChIKey of (3S)-N-propyl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
The InChIKey is WFSJSORRUCZDOD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-2-8-20-17(24)13-6-5-10-23(12-13)18(25)16-11-15(21-22-16)14-7-3-4-9-19-14/h3-4,7,9,11,13H,2,5-6,8,10,12H2,1H3,(H,20,24)(H,21,22)/t13-/m0/s1.
What are the key properties of (3S)-N-propyl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
(3S)-N-propyl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-propyl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 92751845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).