2-cyclohexyloxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]butanamide

C16H24F3N3O2 — CID 136565877

IUPAC2-cyclohexyloxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]butanamide
SMILESCCC(OC1CCCCC1)C(=O)NCc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C16H24F3N3O2/c1-3-13(24-12-7-5-4-6-8-12)15(23)20-10-11-9-14(16(17,18)19)21-22(11)2/h9,12-13H,3-8,10H2,1-2H3,(H,20,23)
InChIKeyFHMVNTLCISUMQV-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.18
Rot. Bonds6

About 2-cyclohexyloxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]butanamide

2-cyclohexyloxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]butanamide (PubChem CID 136565877) has the molecular formula C16H24F3N3O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-cyclohexyloxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]butanamide.

Molecular Properties

Compound Name2-cyclohexyloxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]butanamide
PubChem CID136565877
Molecular FormulaC16H24F3N3O2
Molecular Weight347.38 g/mol
Exact Mass347.18
IUPAC Name2-cyclohexyloxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]butanamide
SMILESCCC(OC1CCCCC1)C(=O)NCc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C16H24F3N3O2/c1-3-13(24-12-7-5-4-6-8-12)15(23)20-10-11-9-14(16(17,18)19)21-22(11)2/h9,12-13H,3-8,10H2,1-2H3,(H,20,23)
InChIKeyFHMVNTLCISUMQV-UHFFFAOYSA-N
XLogP3.18
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]butanamide?
The IUPAC name of 2-cyclohexyloxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]butanamide (CID 136565877) is 2-cyclohexyloxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]butanamide.
What is the SMILES notation for 2-cyclohexyloxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]butanamide?
The canonical SMILES for 2-cyclohexyloxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]butanamide is CCC(OC1CCCCC1)C(=O)NCc1cc(C(F)(F)F)nn1C.
What is the InChIKey of 2-cyclohexyloxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]butanamide?
The InChIKey is FHMVNTLCISUMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O2/c1-3-13(24-12-7-5-4-6-8-12)15(23)20-10-11-9-14(16(17,18)19)21-22(11)2/h9,12-13H,3-8,10H2,1-2H3,(H,20,23).
What are the key properties of 2-cyclohexyloxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]butanamide?
2-cyclohexyloxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]butanamide has a molecular weight of 347.38 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]butanamide is sourced from PubChem (CID 136565877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).