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

C14H14F3N3OS — CID 71807729

IUPACN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-3-carboxamide
SMILESO=C(NCCn1nc(C(F)(F)F)cc1C1CC1)c1ccsc1
InChIInChI=1S/C14H14F3N3OS/c15-14(16,17)12-7-11(9-1-2-9)20(19-12)5-4-18-13(21)10-3-6-22-8-10/h3,6-9H,1-2,4-5H2,(H,18,21)
InChIKeyKZHXRRLMCAOQIJ-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.27
Rot. Bonds5

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

N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-3-carboxamide (PubChem CID 71807729) has the molecular formula C14H14F3N3OS and a molecular weight of 329.35 g/mol. Its IUPAC name is N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-3-carboxamide
PubChem CID71807729
Molecular FormulaC14H14F3N3OS
Molecular Weight329.35 g/mol
Exact Mass329.08
IUPAC NameN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-3-carboxamide
SMILESO=C(NCCn1nc(C(F)(F)F)cc1C1CC1)c1ccsc1
InChIInChI=1S/C14H14F3N3OS/c15-14(16,17)12-7-11(9-1-2-9)20(19-12)5-4-18-13(21)10-3-6-22-8-10/h3,6-9H,1-2,4-5H2,(H,18,21)
InChIKeyKZHXRRLMCAOQIJ-UHFFFAOYSA-N
XLogP3.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-3-carboxamide (CID 71807729) is N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-3-carboxamide is O=C(NCCn1nc(C(F)(F)F)cc1C1CC1)c1ccsc1.
What is the InChIKey of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-3-carboxamide?
The InChIKey is KZHXRRLMCAOQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3OS/c15-14(16,17)12-7-11(9-1-2-9)20(19-12)5-4-18-13(21)10-3-6-22-8-10/h3,6-9H,1-2,4-5H2,(H,18,21).
What are the key properties of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-3-carboxamide?
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-3-carboxamide has a molecular weight of 329.35 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 71807729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).