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

C19H23F3N2O3 — CID 66777124

IUPACcyclohexyl-[3-(methoxymethyl)-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol
SMILESCOCc1nn(-c2ccc(OC(F)(F)F)cc2)cc1C(O)C1CCCCC1
InChIInChI=1S/C19H23F3N2O3/c1-26-12-17-16(18(25)13-5-3-2-4-6-13)11-24(23-17)14-7-9-15(10-8-14)27-19(20,21)22/h7-11,13,18,25H,2-6,12H2,1H3
InChIKeyVSBWWCPEDXZNAT-UHFFFAOYSA-N
MW384.40 g/mol
LogP4.53
Rot. Bonds6

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

cyclohexyl-[3-(methoxymethyl)-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol (PubChem CID 66777124) has the molecular formula C19H23F3N2O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is cyclohexyl-[3-(methoxymethyl)-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Namecyclohexyl-[3-(methoxymethyl)-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol
PubChem CID66777124
Molecular FormulaC19H23F3N2O3
Molecular Weight384.40 g/mol
Exact Mass384.17
IUPAC Namecyclohexyl-[3-(methoxymethyl)-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol
SMILESCOCc1nn(-c2ccc(OC(F)(F)F)cc2)cc1C(O)C1CCCCC1
InChIInChI=1S/C19H23F3N2O3/c1-26-12-17-16(18(25)13-5-3-2-4-6-13)11-24(23-17)14-7-9-15(10-8-14)27-19(20,21)22/h7-11,13,18,25H,2-6,12H2,1H3
InChIKeyVSBWWCPEDXZNAT-UHFFFAOYSA-N
XLogP4.53
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-(methoxymethyl)-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol?
The IUPAC name of cyclohexyl-[3-(methoxymethyl)-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol (CID 66777124) is cyclohexyl-[3-(methoxymethyl)-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol.
What is the SMILES notation for cyclohexyl-[3-(methoxymethyl)-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol?
The canonical SMILES for cyclohexyl-[3-(methoxymethyl)-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol is COCc1nn(-c2ccc(OC(F)(F)F)cc2)cc1C(O)C1CCCCC1.
What is the InChIKey of cyclohexyl-[3-(methoxymethyl)-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol?
The InChIKey is VSBWWCPEDXZNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O3/c1-26-12-17-16(18(25)13-5-3-2-4-6-13)11-24(23-17)14-7-9-15(10-8-14)27-19(20,21)22/h7-11,13,18,25H,2-6,12H2,1H3.
What are the key properties of cyclohexyl-[3-(methoxymethyl)-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol?
cyclohexyl-[3-(methoxymethyl)-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol has a molecular weight of 384.40 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-(methoxymethyl)-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 66777124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).