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

C12H16F3N3O — CID 19530834

IUPACN-cyclohexyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NC1CCCCC1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)10-6-7-18(17-10)8-11(19)16-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,16,19)
InChIKeyFANARVVJJPQWHO-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.35
Rot. Bonds3

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

N-cyclohexyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19530834) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID19530834
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC NameN-cyclohexyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NC1CCCCC1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)10-6-7-18(17-10)8-11(19)16-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,16,19)
InChIKeyFANARVVJJPQWHO-UHFFFAOYSA-N
XLogP2.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 19530834) is N-cyclohexyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is FANARVVJJPQWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)10-6-7-18(17-10)8-11(19)16-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,16,19).
What are the key properties of N-cyclohexyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-cyclohexyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 275.27 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19530834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).