2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-hydroxycyclohexyl)propanamide

C16H24F3N3O2 — CID 110000358

IUPAC2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-hydroxycyclohexyl)propanamide
SMILESCc1nn(CC(F)(F)F)c(C)c1C(C)C(=O)NC1CCCCC1O
InChIInChI=1S/C16H24F3N3O2/c1-9(15(24)20-12-6-4-5-7-13(12)23)14-10(2)21-22(11(14)3)8-16(17,18)19/h9,12-13,23H,4-8H2,1-3H3,(H,20,24)
InChIKeyBNMRHHHVCAKNJU-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.59
Rot. Bonds4

About 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-hydroxycyclohexyl)propanamide

2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-hydroxycyclohexyl)propanamide (PubChem CID 110000358) has the molecular formula C16H24F3N3O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-hydroxycyclohexyl)propanamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-hydroxycyclohexyl)propanamide
PubChem CID110000358
Molecular FormulaC16H24F3N3O2
Molecular Weight347.38 g/mol
Exact Mass347.18
IUPAC Name2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-hydroxycyclohexyl)propanamide
SMILESCc1nn(CC(F)(F)F)c(C)c1C(C)C(=O)NC1CCCCC1O
InChIInChI=1S/C16H24F3N3O2/c1-9(15(24)20-12-6-4-5-7-13(12)23)14-10(2)21-22(11(14)3)8-16(17,18)19/h9,12-13,23H,4-8H2,1-3H3,(H,20,24)
InChIKeyBNMRHHHVCAKNJU-UHFFFAOYSA-N
XLogP2.59
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-hydroxycyclohexyl)propanamide?
The IUPAC name of 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-hydroxycyclohexyl)propanamide (CID 110000358) is 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-hydroxycyclohexyl)propanamide.
What is the SMILES notation for 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-hydroxycyclohexyl)propanamide?
The canonical SMILES for 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-hydroxycyclohexyl)propanamide is Cc1nn(CC(F)(F)F)c(C)c1C(C)C(=O)NC1CCCCC1O.
What is the InChIKey of 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-hydroxycyclohexyl)propanamide?
The InChIKey is BNMRHHHVCAKNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O2/c1-9(15(24)20-12-6-4-5-7-13(12)23)14-10(2)21-22(11(14)3)8-16(17,18)19/h9,12-13,23H,4-8H2,1-3H3,(H,20,24).
What are the key properties of 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-hydroxycyclohexyl)propanamide?
2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-hydroxycyclohexyl)propanamide has a molecular weight of 347.38 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-hydroxycyclohexyl)propanamide is sourced from PubChem (CID 110000358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).