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

C18H21N5O — CID 155529485

IUPACN-[2-[3-(2-cyanophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
SMILESN#Cc1ccccc1-c1ccn(CCNC(=O)N2CCCCC2)n1
InChIInChI=1S/C18H21N5O/c19-14-15-6-2-3-7-16(15)17-8-12-23(21-17)13-9-20-18(24)22-10-4-1-5-11-22/h2-3,6-8,12H,1,4-5,9-11,13H2,(H,20,24)
InChIKeyQHHDIYLYAYELEZ-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.62
Rot. Bonds4

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

N-[2-[3-(2-cyanophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide (PubChem CID 155529485) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[2-[3-(2-cyanophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(2-cyanophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
PubChem CID155529485
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-[2-[3-(2-cyanophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
SMILESN#Cc1ccccc1-c1ccn(CCNC(=O)N2CCCCC2)n1
InChIInChI=1S/C18H21N5O/c19-14-15-6-2-3-7-16(15)17-8-12-23(21-17)13-9-20-18(24)22-10-4-1-5-11-22/h2-3,6-8,12H,1,4-5,9-11,13H2,(H,20,24)
InChIKeyQHHDIYLYAYELEZ-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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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-cyanophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide?
The IUPAC name of N-[2-[3-(2-cyanophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide (CID 155529485) is N-[2-[3-(2-cyanophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-[3-(2-cyanophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-[2-[3-(2-cyanophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide is N#Cc1ccccc1-c1ccn(CCNC(=O)N2CCCCC2)n1.
What is the InChIKey of N-[2-[3-(2-cyanophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide?
The InChIKey is QHHDIYLYAYELEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c19-14-15-6-2-3-7-16(15)17-8-12-23(21-17)13-9-20-18(24)22-10-4-1-5-11-22/h2-3,6-8,12H,1,4-5,9-11,13H2,(H,20,24).
What are the key properties of N-[2-[3-(2-cyanophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide?
N-[2-[3-(2-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-(2-cyanophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 155529485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).