2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopentylacetamide

C14H17ClF3N3O — CID 4768438

IUPAC2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopentylacetamide
SMILESO=C(Cn1nc(C(F)(F)F)c(Cl)c1C1CC1)NC1CCCC1
InChIInChI=1S/C14H17ClF3N3O/c15-11-12(8-5-6-8)21(20-13(11)14(16,17)18)7-10(22)19-9-3-1-2-4-9/h8-9H,1-7H2,(H,19,22)
InChIKeyWIOOTYMMPITRPA-UHFFFAOYSA-N
MW335.76 g/mol
LogP3.49
Rot. Bonds4

About 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopentylacetamide

2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopentylacetamide (PubChem CID 4768438) has the molecular formula C14H17ClF3N3O and a molecular weight of 335.76 g/mol. Its IUPAC name is 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopentylacetamide
PubChem CID4768438
Molecular FormulaC14H17ClF3N3O
Molecular Weight335.76 g/mol
Exact Mass335.10
IUPAC Name2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopentylacetamide
SMILESO=C(Cn1nc(C(F)(F)F)c(Cl)c1C1CC1)NC1CCCC1
InChIInChI=1S/C14H17ClF3N3O/c15-11-12(8-5-6-8)21(20-13(11)14(16,17)18)7-10(22)19-9-3-1-2-4-9/h8-9H,1-7H2,(H,19,22)
InChIKeyWIOOTYMMPITRPA-UHFFFAOYSA-N
XLogP3.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.76
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopentylacetamide?
The IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopentylacetamide (CID 4768438) is 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopentylacetamide is O=C(Cn1nc(C(F)(F)F)c(Cl)c1C1CC1)NC1CCCC1.
What is the InChIKey of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopentylacetamide?
The InChIKey is WIOOTYMMPITRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3N3O/c15-11-12(8-5-6-8)21(20-13(11)14(16,17)18)7-10(22)19-9-3-1-2-4-9/h8-9H,1-7H2,(H,19,22).
What are the key properties of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopentylacetamide?
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopentylacetamide has a molecular weight of 335.76 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopentylacetamide is sourced from PubChem (CID 4768438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).