3-cyclohexyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide

C14H20F3N3O — CID 95741382

IUPAC3-cyclohexyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
SMILESO=C(CCC1CCCCC1)Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C14H20F3N3O/c15-14(16,17)10-20-9-12(8-18-20)19-13(21)7-6-11-4-2-1-3-5-11/h8-9,11H,1-7,10H2,(H,19,21)
InChIKeyPBWXRDBWIQOGAX-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.74
Rot. Bonds5

About 3-cyclohexyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide

3-cyclohexyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide (PubChem CID 95741382) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 3-cyclohexyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
PubChem CID95741382
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name3-cyclohexyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
SMILESO=C(CCC1CCCCC1)Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C14H20F3N3O/c15-14(16,17)10-20-9-12(8-18-20)19-13(21)7-6-11-4-2-1-3-5-11/h8-9,11H,1-7,10H2,(H,19,21)
InChIKeyPBWXRDBWIQOGAX-UHFFFAOYSA-N
XLogP3.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide (CID 95741382) is 3-cyclohexyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide is O=C(CCC1CCCCC1)Nc1cnn(CC(F)(F)F)c1.
What is the InChIKey of 3-cyclohexyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide?
The InChIKey is PBWXRDBWIQOGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c15-14(16,17)10-20-9-12(8-18-20)19-13(21)7-6-11-4-2-1-3-5-11/h8-9,11H,1-7,10H2,(H,19,21).
What are the key properties of 3-cyclohexyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide?
3-cyclohexyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide has a molecular weight of 303.33 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 95741382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).