1-(4-chlorophenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide

C18H19ClF3N3O — CID 71808043

IUPAC1-(4-chlorophenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide
SMILESO=C(NCCn1ccc(C(F)(F)F)n1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C18H19ClF3N3O/c19-14-5-3-13(4-6-14)17(8-1-2-9-17)16(26)23-10-12-25-11-7-15(24-25)18(20,21)22/h3-7,11H,1-2,8-10,12H2,(H,23,26)
InChIKeyUZGCLERQMXEUIE-UHFFFAOYSA-N
MW385.82 g/mol
LogP4.18
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide (PubChem CID 71808043) has the molecular formula C18H19ClF3N3O and a molecular weight of 385.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide
PubChem CID71808043
Molecular FormulaC18H19ClF3N3O
Molecular Weight385.82 g/mol
Exact Mass385.12
IUPAC Name1-(4-chlorophenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide
SMILESO=C(NCCn1ccc(C(F)(F)F)n1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C18H19ClF3N3O/c19-14-5-3-13(4-6-14)17(8-1-2-9-17)16(26)23-10-12-25-11-7-15(24-25)18(20,21)22/h3-7,11H,1-2,8-10,12H2,(H,23,26)
InChIKeyUZGCLERQMXEUIE-UHFFFAOYSA-N
XLogP4.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.82
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide (CID 71808043) is 1-(4-chlorophenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide is O=C(NCCn1ccc(C(F)(F)F)n1)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide?
The InChIKey is UZGCLERQMXEUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF3N3O/c19-14-5-3-13(4-6-14)17(8-1-2-9-17)16(26)23-10-12-25-11-7-15(24-25)18(20,21)22/h3-7,11H,1-2,8-10,12H2,(H,23,26).
What are the key properties of 1-(4-chlorophenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide?
1-(4-chlorophenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide has a molecular weight of 385.82 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 71808043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).