(2S)-N-[1-(3-cyanopropyl)pyrazol-3-yl]-1-propan-2-ylpiperidine-2-carboxamide

C16H25N5O — CID 97218811

IUPAC(2S)-N-[1-(3-cyanopropyl)pyrazol-3-yl]-1-propan-2-ylpiperidine-2-carboxamide
SMILESCC(C)N1CCCC[C@H]1C(=O)Nc1ccn(CCCC#N)n1
InChIInChI=1S/C16H25N5O/c1-13(2)21-11-5-3-7-14(21)16(22)18-15-8-12-20(19-15)10-6-4-9-17/h8,12-14H,3-7,10-11H2,1-2H3,(H,18,19,22)/t14-/m0/s1
InChIKeyLJOXNEWQHRGMBC-AWEZNQCLSA-N
MW303.41 g/mol
LogP2.39
Rot. Bonds6

About (2S)-N-[1-(3-cyanopropyl)pyrazol-3-yl]-1-propan-2-ylpiperidine-2-carboxamide

(2S)-N-[1-(3-cyanopropyl)pyrazol-3-yl]-1-propan-2-ylpiperidine-2-carboxamide (PubChem CID 97218811) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is (2S)-N-[1-(3-cyanopropyl)pyrazol-3-yl]-1-propan-2-ylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[1-(3-cyanopropyl)pyrazol-3-yl]-1-propan-2-ylpiperidine-2-carboxamide
PubChem CID97218811
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name(2S)-N-[1-(3-cyanopropyl)pyrazol-3-yl]-1-propan-2-ylpiperidine-2-carboxamide
SMILESCC(C)N1CCCC[C@H]1C(=O)Nc1ccn(CCCC#N)n1
InChIInChI=1S/C16H25N5O/c1-13(2)21-11-5-3-7-14(21)16(22)18-15-8-12-20(19-15)10-6-4-9-17/h8,12-14H,3-7,10-11H2,1-2H3,(H,18,19,22)/t14-/m0/s1
InChIKeyLJOXNEWQHRGMBC-AWEZNQCLSA-N
XLogP2.39
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-N-[1-(3-cyanopropyl)pyrazol-3-yl]-1-propan-2-ylpiperidine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(3-cyanopropyl)pyrazol-3-yl]-1-propan-2-ylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-[1-(3-cyanopropyl)pyrazol-3-yl]-1-propan-2-ylpiperidine-2-carboxamide (CID 97218811) is (2S)-N-[1-(3-cyanopropyl)pyrazol-3-yl]-1-propan-2-ylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[1-(3-cyanopropyl)pyrazol-3-yl]-1-propan-2-ylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[1-(3-cyanopropyl)pyrazol-3-yl]-1-propan-2-ylpiperidine-2-carboxamide is CC(C)N1CCCC[C@H]1C(=O)Nc1ccn(CCCC#N)n1.
What is the InChIKey of (2S)-N-[1-(3-cyanopropyl)pyrazol-3-yl]-1-propan-2-ylpiperidine-2-carboxamide?
The InChIKey is LJOXNEWQHRGMBC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25N5O/c1-13(2)21-11-5-3-7-14(21)16(22)18-15-8-12-20(19-15)10-6-4-9-17/h8,12-14H,3-7,10-11H2,1-2H3,(H,18,19,22)/t14-/m0/s1.
What are the key properties of (2S)-N-[1-(3-cyanopropyl)pyrazol-3-yl]-1-propan-2-ylpiperidine-2-carboxamide?
(2S)-N-[1-(3-cyanopropyl)pyrazol-3-yl]-1-propan-2-ylpiperidine-2-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(3-cyanopropyl)pyrazol-3-yl]-1-propan-2-ylpiperidine-2-carboxamide is sourced from PubChem (CID 97218811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).