N-cyclohexyl-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C15H20F3N3O — CID 4770086

IUPACN-cyclohexyl-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)cc1C1CC1)NC1CCCCC1
InChIInChI=1S/C15H20F3N3O/c16-15(17,18)13-8-12(10-6-7-10)21(20-13)9-14(22)19-11-4-2-1-3-5-11/h8,10-11H,1-7,9H2,(H,19,22)
InChIKeyZVGVAKJRFULWFP-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.23
Rot. Bonds4

About N-cyclohexyl-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-cyclohexyl-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 4770086) has the molecular formula C15H20F3N3O and a molecular weight of 315.34 g/mol. Its IUPAC name is N-cyclohexyl-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID4770086
Molecular FormulaC15H20F3N3O
Molecular Weight315.34 g/mol
Exact Mass315.16
IUPAC NameN-cyclohexyl-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)cc1C1CC1)NC1CCCCC1
InChIInChI=1S/C15H20F3N3O/c16-15(17,18)13-8-12(10-6-7-10)21(20-13)9-14(22)19-11-4-2-1-3-5-11/h8,10-11H,1-7,9H2,(H,19,22)
InChIKeyZVGVAKJRFULWFP-UHFFFAOYSA-N
XLogP3.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 4770086) is N-cyclohexyl-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1nc(C(F)(F)F)cc1C1CC1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is ZVGVAKJRFULWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O/c16-15(17,18)13-8-12(10-6-7-10)21(20-13)9-14(22)19-11-4-2-1-3-5-11/h8,10-11H,1-7,9H2,(H,19,22).
What are the key properties of N-cyclohexyl-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-cyclohexyl-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 315.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 4770086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).