(2R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-1-prop-2-ynylpiperidine-2-carboxamide

C19H20N6O — CID 94805971

IUPAC(2R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-1-prop-2-ynylpiperidine-2-carboxamide
SMILESC#CCN1CCCC[C@@H]1C(=O)Nc1ccc(-n2ncc(C#N)c2N)cc1
InChIInChI=1S/C19H20N6O/c1-2-10-24-11-4-3-5-17(24)19(26)23-15-6-8-16(9-7-15)25-18(21)14(12-20)13-22-25/h1,6-9,13,17H,3-5,10-11,21H2,(H,23,26)/t17-/m1/s1
InChIKeyRSZHLBWMUYPJHE-QGZVFWFLSA-N
MW348.41 g/mol
LogP1.75
Rot. Bonds4

About (2R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-1-prop-2-ynylpiperidine-2-carboxamide

(2R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-1-prop-2-ynylpiperidine-2-carboxamide (PubChem CID 94805971) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is (2R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-1-prop-2-ynylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-1-prop-2-ynylpiperidine-2-carboxamide
PubChem CID94805971
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name(2R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-1-prop-2-ynylpiperidine-2-carboxamide
SMILESC#CCN1CCCC[C@@H]1C(=O)Nc1ccc(-n2ncc(C#N)c2N)cc1
InChIInChI=1S/C19H20N6O/c1-2-10-24-11-4-3-5-17(24)19(26)23-15-6-8-16(9-7-15)25-18(21)14(12-20)13-22-25/h1,6-9,13,17H,3-5,10-11,21H2,(H,23,26)/t17-/m1/s1
InChIKeyRSZHLBWMUYPJHE-QGZVFWFLSA-N
XLogP1.75
TPSA99.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-1-prop-2-ynylpiperidine-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

Related Compounds

(2S,6R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 95286089
N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-(2-methylpropoxy)propanamide
CID 51088181
(2R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-ethoxybutanamide
CID 94667597
(2S)-N-(2-methyl-1H-indol-5-yl)-1-prop-2-ynylpiperidine-2-carboxamide
CID 94658175
(2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-hydroxyethyl)piperidine-2-carboxamide
CID 97280925
(2S)-1-(cyclopropylmethyl)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-2-carboxamide
CID 42377399
4-(5-amino-4-cyanopyrazol-1-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 95168441
1-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea;2,2,2-trifluoroacetic acid
CID 166182086
N-(4-cyano-1-phenylpyrazol-5-yl)-2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]piperidin-1-yl]acetamide
CID 124742043
methyl 3-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]prop-2-enoate
CID 169479734
2-[4-[(1-ethylpiperidine-2-carbonyl)amino]phenyl]indazole-7-carboxamide
CID 87362352
N-(4-bromophenyl)-1-ethylpiperidine-2-carboxamide
CID 47074748

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-1-prop-2-ynylpiperidine-2-carboxamide?
The IUPAC name of (2R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-1-prop-2-ynylpiperidine-2-carboxamide (CID 94805971) is (2R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-1-prop-2-ynylpiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-1-prop-2-ynylpiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-1-prop-2-ynylpiperidine-2-carboxamide is C#CCN1CCCC[C@@H]1C(=O)Nc1ccc(-n2ncc(C#N)c2N)cc1.
What is the InChIKey of (2R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-1-prop-2-ynylpiperidine-2-carboxamide?
The InChIKey is RSZHLBWMUYPJHE-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20N6O/c1-2-10-24-11-4-3-5-17(24)19(26)23-15-6-8-16(9-7-15)25-18(21)14(12-20)13-22-25/h1,6-9,13,17H,3-5,10-11,21H2,(H,23,26)/t17-/m1/s1.
What are the key properties of (2R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-1-prop-2-ynylpiperidine-2-carboxamide?
(2R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-1-prop-2-ynylpiperidine-2-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-1-prop-2-ynylpiperidine-2-carboxamide is sourced from PubChem (CID 94805971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).