5-chloro-N-cyclopentyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide

C16H17ClF3N3OS — CID 119103011

IUPAC5-chloro-N-cyclopentyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(c1ccc(Cl)s1)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1
InChIInChI=1S/C16H17ClF3N3OS/c17-14-6-5-12(25-14)15(24)23(11-3-1-2-4-11)10-9-22-8-7-13(21-22)16(18,19)20/h5-8,11H,1-4,9-10H2
InChIKeyJXESXTZYXIUUKJ-UHFFFAOYSA-N
MW391.85 g/mol
LogP4.70
Rot. Bonds5

About 5-chloro-N-cyclopentyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide

5-chloro-N-cyclopentyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide (PubChem CID 119103011) has the molecular formula C16H17ClF3N3OS and a molecular weight of 391.85 g/mol. Its IUPAC name is 5-chloro-N-cyclopentyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-cyclopentyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide
PubChem CID119103011
Molecular FormulaC16H17ClF3N3OS
Molecular Weight391.85 g/mol
Exact Mass391.07
IUPAC Name5-chloro-N-cyclopentyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(c1ccc(Cl)s1)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1
InChIInChI=1S/C16H17ClF3N3OS/c17-14-6-5-12(25-14)15(24)23(11-3-1-2-4-11)10-9-22-8-7-13(21-22)16(18,19)20/h5-8,11H,1-4,9-10H2
InChIKeyJXESXTZYXIUUKJ-UHFFFAOYSA-N
XLogP4.70
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.85
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopentyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-cyclopentyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide (CID 119103011) is 5-chloro-N-cyclopentyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-cyclopentyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-cyclopentyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide is O=C(c1ccc(Cl)s1)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1.
What is the InChIKey of 5-chloro-N-cyclopentyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is JXESXTZYXIUUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClF3N3OS/c17-14-6-5-12(25-14)15(24)23(11-3-1-2-4-11)10-9-22-8-7-13(21-22)16(18,19)20/h5-8,11H,1-4,9-10H2.
What are the key properties of 5-chloro-N-cyclopentyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide?
5-chloro-N-cyclopentyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 391.85 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopentyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 119103011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).