N-[2-[3-(3-cyanophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide

C18H21N5O — CID 155550508

IUPACN-[2-[3-(3-cyanophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
SMILESN#Cc1cccc(-c2ccn(CCNC(=O)N3CCCCC3)n2)c1
InChIInChI=1S/C18H21N5O/c19-14-15-5-4-6-16(13-15)17-7-11-23(21-17)12-8-20-18(24)22-9-2-1-3-10-22/h4-7,11,13H,1-3,8-10,12H2,(H,20,24)
InChIKeyTXMNRUYDJGNNPL-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.62
Rot. Bonds4

About N-[2-[3-(3-cyanophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide

N-[2-[3-(3-cyanophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide (PubChem CID 155550508) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[2-[3-(3-cyanophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(3-cyanophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
PubChem CID155550508
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-[2-[3-(3-cyanophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
SMILESN#Cc1cccc(-c2ccn(CCNC(=O)N3CCCCC3)n2)c1
InChIInChI=1S/C18H21N5O/c19-14-15-5-4-6-16(13-15)17-7-11-23(21-17)12-8-20-18(24)22-9-2-1-3-10-22/h4-7,11,13H,1-3,8-10,12H2,(H,20,24)
InChIKeyTXMNRUYDJGNNPL-UHFFFAOYSA-N
XLogP2.62
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(4-methylpiperazino)phenyl]-N-phenyl-1H-pyrazole-1-carboxamide
CID 4264966
1-Cycloheptyl-1-[[3-(1-methylpyrazol-3-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 11797565
N-[2-(3-phenylpyrazol-1-yl)propyl]piperidine-1-carboxamide
CID 118514522
N-[1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 118514528
N-[2-(3-phenylpyrazol-1-yl)ethyl]piperidine-1-carboxamide
CID 118524339
1-(4-Benzylpiperazine-1-carbonyl)pyrazole-4-carbonitrile
CID 118526834
N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 123583803
N-[1-(4-isobutylbenzyl)-3-piperidinyl]-2-(3-methyl-1H-pyrazol-1-yl)acetamide
CID 24818965
1-(3-Cyano-4-pyrazol-1-yl-cyclohexa-2,4-dienyl)-3-{(1R,2S)-2-[(S)-3-(4-fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-urea
CID 44401123
N-(2-phenylcyclopropyl)-4-(1H-pyrazol-1-yl)piperidine-1-carboxamide
CID 45273373
(3R)-3-fluoro-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 155514780
N-[2-[3-(3-chlorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155518263

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3-cyanophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide?
The IUPAC name of N-[2-[3-(3-cyanophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide (CID 155550508) is N-[2-[3-(3-cyanophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-[3-(3-cyanophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-[2-[3-(3-cyanophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide is N#Cc1cccc(-c2ccn(CCNC(=O)N3CCCCC3)n2)c1.
What is the InChIKey of N-[2-[3-(3-cyanophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide?
The InChIKey is TXMNRUYDJGNNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c19-14-15-5-4-6-16(13-15)17-7-11-23(21-17)12-8-20-18(24)22-9-2-1-3-10-22/h4-7,11,13H,1-3,8-10,12H2,(H,20,24).
What are the key properties of N-[2-[3-(3-cyanophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide?
N-[2-[3-(3-cyanophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3-cyanophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 155550508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).