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

C18H24N4O — CID 155527416

IUPACN-[2-[3-(2-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
SMILESCc1ccccc1-c1ccn(CCNC(=O)N2CCCCC2)n1
InChIInChI=1S/C18H24N4O/c1-15-7-3-4-8-16(15)17-9-13-22(20-17)14-10-19-18(23)21-11-5-2-6-12-21/h3-4,7-9,13H,2,5-6,10-12,14H2,1H3,(H,19,23)
InChIKeyQBYDUPWXZIBNSG-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.05
Rot. Bonds4

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

N-[2-[3-(2-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide (PubChem CID 155527416) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[2-[3-(2-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(2-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
PubChem CID155527416
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[2-[3-(2-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
SMILESCc1ccccc1-c1ccn(CCNC(=O)N2CCCCC2)n1
InChIInChI=1S/C18H24N4O/c1-15-7-3-4-8-16(15)17-9-13-22(20-17)14-10-19-18(23)21-11-5-2-6-12-21/h3-4,7-9,13H,2,5-6,10-12,14H2,1H3,(H,19,23)
InChIKeyQBYDUPWXZIBNSG-UHFFFAOYSA-N
XLogP3.05
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide?
The IUPAC name of N-[2-[3-(2-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide (CID 155527416) is N-[2-[3-(2-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-[3-(2-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-[2-[3-(2-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide is Cc1ccccc1-c1ccn(CCNC(=O)N2CCCCC2)n1.
What is the InChIKey of N-[2-[3-(2-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide?
The InChIKey is QBYDUPWXZIBNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-15-7-3-4-8-16(15)17-9-13-22(20-17)14-10-19-18(23)21-11-5-2-6-12-21/h3-4,7-9,13H,2,5-6,10-12,14H2,1H3,(H,19,23).
What are the key properties of N-[2-[3-(2-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide?
N-[2-[3-(2-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 155527416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).