N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-thiophen-2-ylacetamide

C15H16F3N3OS — CID 71807733

IUPACN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C15H16F3N3OS/c16-15(17,18)13-9-12(10-3-4-10)21(20-13)6-5-19-14(22)8-11-2-1-7-23-11/h1-2,7,9-10H,3-6,8H2,(H,19,22)
InChIKeyFRXOPIRTWCUKQO-UHFFFAOYSA-N
MW343.37 g/mol
LogP3.20
Rot. Bonds6

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

N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-thiophen-2-ylacetamide (PubChem CID 71807733) has the molecular formula C15H16F3N3OS and a molecular weight of 343.37 g/mol. Its IUPAC name is N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-thiophen-2-ylacetamide
PubChem CID71807733
Molecular FormulaC15H16F3N3OS
Molecular Weight343.37 g/mol
Exact Mass343.10
IUPAC NameN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C15H16F3N3OS/c16-15(17,18)13-9-12(10-3-4-10)21(20-13)6-5-19-14(22)8-11-2-1-7-23-11/h1-2,7,9-10H,3-6,8H2,(H,19,22)
InChIKeyFRXOPIRTWCUKQO-UHFFFAOYSA-N
XLogP3.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 53.20
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]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-thiophen-2-ylacetamide (CID 71807733) is N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCCn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is FRXOPIRTWCUKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3OS/c16-15(17,18)13-9-12(10-3-4-10)21(20-13)6-5-19-14(22)8-11-2-1-7-23-11/h1-2,7,9-10H,3-6,8H2,(H,19,22).
What are the key properties of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-thiophen-2-ylacetamide?
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 343.37 g/mol, XLogP of 3.20, 6 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]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 71807733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).