N-[2-(3-phenylpyrazol-1-yl)ethyl]cyclopentanecarboxamide

C17H21N3O — CID 123225257

IUPACN-[2-(3-phenylpyrazol-1-yl)ethyl]cyclopentanecarboxamide
SMILESO=C(NCCn1ccc(-c2ccccc2)n1)C1CCCC1
InChIInChI=1S/C17H21N3O/c21-17(15-8-4-5-9-15)18-11-13-20-12-10-16(19-20)14-6-2-1-3-7-14/h1-3,6-7,10,12,15H,4-5,8-9,11,13H2,(H,18,21)
InChIKeyFWIJRTLIRRWMCM-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.86
Rot. Bonds5

About N-[2-(3-phenylpyrazol-1-yl)ethyl]cyclopentanecarboxamide

N-[2-(3-phenylpyrazol-1-yl)ethyl]cyclopentanecarboxamide (PubChem CID 123225257) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[2-(3-phenylpyrazol-1-yl)ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-(3-phenylpyrazol-1-yl)ethyl]cyclopentanecarboxamide
PubChem CID123225257
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[2-(3-phenylpyrazol-1-yl)ethyl]cyclopentanecarboxamide
SMILESO=C(NCCn1ccc(-c2ccccc2)n1)C1CCCC1
InChIInChI=1S/C17H21N3O/c21-17(15-8-4-5-9-15)18-11-13-20-12-10-16(19-20)14-6-2-1-3-7-14/h1-3,6-7,10,12,15H,4-5,8-9,11,13H2,(H,18,21)
InChIKeyFWIJRTLIRRWMCM-UHFFFAOYSA-N
XLogP2.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenylpyrazol-1-yl)ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-(3-phenylpyrazol-1-yl)ethyl]cyclopentanecarboxamide (CID 123225257) is N-[2-(3-phenylpyrazol-1-yl)ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-(3-phenylpyrazol-1-yl)ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-(3-phenylpyrazol-1-yl)ethyl]cyclopentanecarboxamide is O=C(NCCn1ccc(-c2ccccc2)n1)C1CCCC1.
What is the InChIKey of N-[2-(3-phenylpyrazol-1-yl)ethyl]cyclopentanecarboxamide?
The InChIKey is FWIJRTLIRRWMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c21-17(15-8-4-5-9-15)18-11-13-20-12-10-16(19-20)14-6-2-1-3-7-14/h1-3,6-7,10,12,15H,4-5,8-9,11,13H2,(H,18,21).
What are the key properties of N-[2-(3-phenylpyrazol-1-yl)ethyl]cyclopentanecarboxamide?
N-[2-(3-phenylpyrazol-1-yl)ethyl]cyclopentanecarboxamide has a molecular weight of 283.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phenylpyrazol-1-yl)ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 123225257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).