cyclohexyl-[3-phenylmethoxy-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol

C24H25F3N2O3 — CID 66777400

IUPACcyclohexyl-[3-phenylmethoxy-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol
SMILESOC(c1cn(-c2ccc(OC(F)(F)F)cc2)nc1OCc1ccccc1)C1CCCCC1
InChIInChI=1S/C24H25F3N2O3/c25-24(26,27)32-20-13-11-19(12-14-20)29-15-21(22(30)18-9-5-2-6-10-18)23(28-29)31-16-17-7-3-1-4-8-17/h1,3-4,7-8,11-15,18,22,30H,2,5-6,9-10,16H2
InChIKeySXNAQAXDIYRBCE-UHFFFAOYSA-N
MW446.47 g/mol
LogP5.96
Rot. Bonds7

About cyclohexyl-[3-phenylmethoxy-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol

cyclohexyl-[3-phenylmethoxy-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol (PubChem CID 66777400) has the molecular formula C24H25F3N2O3 and a molecular weight of 446.47 g/mol. Its IUPAC name is cyclohexyl-[3-phenylmethoxy-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Namecyclohexyl-[3-phenylmethoxy-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol
PubChem CID66777400
Molecular FormulaC24H25F3N2O3
Molecular Weight446.47 g/mol
Exact Mass446.18
IUPAC Namecyclohexyl-[3-phenylmethoxy-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol
SMILESOC(c1cn(-c2ccc(OC(F)(F)F)cc2)nc1OCc1ccccc1)C1CCCCC1
InChIInChI=1S/C24H25F3N2O3/c25-24(26,27)32-20-13-11-19(12-14-20)29-15-21(22(30)18-9-5-2-6-10-18)23(28-29)31-16-17-7-3-1-4-8-17/h1,3-4,7-8,11-15,18,22,30H,2,5-6,9-10,16H2
InChIKeySXNAQAXDIYRBCE-UHFFFAOYSA-N
XLogP5.96
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.47
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-phenylmethoxy-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol?
The IUPAC name of cyclohexyl-[3-phenylmethoxy-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol (CID 66777400) is cyclohexyl-[3-phenylmethoxy-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol.
What is the SMILES notation for cyclohexyl-[3-phenylmethoxy-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol?
The canonical SMILES for cyclohexyl-[3-phenylmethoxy-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol is OC(c1cn(-c2ccc(OC(F)(F)F)cc2)nc1OCc1ccccc1)C1CCCCC1.
What is the InChIKey of cyclohexyl-[3-phenylmethoxy-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol?
The InChIKey is SXNAQAXDIYRBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O3/c25-24(26,27)32-20-13-11-19(12-14-20)29-15-21(22(30)18-9-5-2-6-10-18)23(28-29)31-16-17-7-3-1-4-8-17/h1,3-4,7-8,11-15,18,22,30H,2,5-6,9-10,16H2.
What are the key properties of cyclohexyl-[3-phenylmethoxy-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol?
cyclohexyl-[3-phenylmethoxy-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol has a molecular weight of 446.47 g/mol, XLogP of 5.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-phenylmethoxy-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 66777400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).