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

C17H21ClN4O — CID 155529309

IUPACN-[2-[3-(2-chlorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
SMILESO=C(NCCn1ccc(-c2ccccc2Cl)n1)N1CCCCC1
InChIInChI=1S/C17H21ClN4O/c18-15-7-3-2-6-14(15)16-8-12-22(20-16)13-9-19-17(23)21-10-4-1-5-11-21/h2-3,6-8,12H,1,4-5,9-11,13H2,(H,19,23)
InChIKeyWJHLVIUCJUYQGJ-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.40
Rot. Bonds4

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

N-[2-[3-(2-chlorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide (PubChem CID 155529309) has the molecular formula C17H21ClN4O and a molecular weight of 332.83 g/mol. Its IUPAC name is N-[2-[3-(2-chlorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(2-chlorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
PubChem CID155529309
Molecular FormulaC17H21ClN4O
Molecular Weight332.83 g/mol
Exact Mass332.14
IUPAC NameN-[2-[3-(2-chlorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
SMILESO=C(NCCn1ccc(-c2ccccc2Cl)n1)N1CCCCC1
InChIInChI=1S/C17H21ClN4O/c18-15-7-3-2-6-14(15)16-8-12-22(20-16)13-9-19-17(23)21-10-4-1-5-11-21/h2-3,6-8,12H,1,4-5,9-11,13H2,(H,19,23)
InChIKeyWJHLVIUCJUYQGJ-UHFFFAOYSA-N
XLogP3.40
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.40
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-chlorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide?
The IUPAC name of N-[2-[3-(2-chlorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide (CID 155529309) is N-[2-[3-(2-chlorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-[3-(2-chlorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-[2-[3-(2-chlorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide is O=C(NCCn1ccc(-c2ccccc2Cl)n1)N1CCCCC1.
What is the InChIKey of N-[2-[3-(2-chlorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide?
The InChIKey is WJHLVIUCJUYQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c18-15-7-3-2-6-14(15)16-8-12-22(20-16)13-9-19-17(23)21-10-4-1-5-11-21/h2-3,6-8,12H,1,4-5,9-11,13H2,(H,19,23).
What are the key properties of N-[2-[3-(2-chlorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide?
N-[2-[3-(2-chlorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide has a molecular weight of 332.83 g/mol, XLogP of 3.40, 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-chlorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 155529309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).