N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclohexanecarboxamide

C12H16F3N3O — CID 75358382

IUPACN-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclohexanecarboxamide
SMILESO=C(Nc1cnn(CC(F)(F)F)c1)C1CCCCC1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)8-18-7-10(6-16-18)17-11(19)9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,17,19)
InChIKeyNGHHWGJVUJBTHE-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.96
Rot. Bonds3

About N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclohexanecarboxamide

N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclohexanecarboxamide (PubChem CID 75358382) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclohexanecarboxamide
PubChem CID75358382
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC NameN-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclohexanecarboxamide
SMILESO=C(Nc1cnn(CC(F)(F)F)c1)C1CCCCC1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)8-18-7-10(6-16-18)17-11(19)9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,17,19)
InChIKeyNGHHWGJVUJBTHE-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclohexanecarboxamide (CID 75358382) is N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclohexanecarboxamide is O=C(Nc1cnn(CC(F)(F)F)c1)C1CCCCC1.
What is the InChIKey of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclohexanecarboxamide?
The InChIKey is NGHHWGJVUJBTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)8-18-7-10(6-16-18)17-11(19)9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,17,19).
What are the key properties of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclohexanecarboxamide?
N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclohexanecarboxamide has a molecular weight of 275.27 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 75358382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).