[3-tert-butyl-5-chloro-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol

C15H16ClF3N2O — CID 58733808

IUPAC[3-tert-butyl-5-chloro-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
SMILESCC(C)(C)c1nn(-c2ccc(C(F)(F)F)cc2)c(Cl)c1CO
InChIInChI=1S/C15H16ClF3N2O/c1-14(2,3)12-11(8-22)13(16)21(20-12)10-6-4-9(5-7-10)15(17,18)19/h4-7,22H,8H2,1-3H3
InChIKeyIZBPDNDTAHBXJM-UHFFFAOYSA-N
MW332.75 g/mol
LogP4.33
Rot. Bonds2

About [3-tert-butyl-5-chloro-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol

[3-tert-butyl-5-chloro-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol (PubChem CID 58733808) has the molecular formula C15H16ClF3N2O and a molecular weight of 332.75 g/mol. Its IUPAC name is [3-tert-butyl-5-chloro-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-tert-butyl-5-chloro-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
PubChem CID58733808
Molecular FormulaC15H16ClF3N2O
Molecular Weight332.75 g/mol
Exact Mass332.09
IUPAC Name[3-tert-butyl-5-chloro-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
SMILESCC(C)(C)c1nn(-c2ccc(C(F)(F)F)cc2)c(Cl)c1CO
InChIInChI=1S/C15H16ClF3N2O/c1-14(2,3)12-11(8-22)13(16)21(20-12)10-6-4-9(5-7-10)15(17,18)19/h4-7,22H,8H2,1-3H3
InChIKeyIZBPDNDTAHBXJM-UHFFFAOYSA-N
XLogP4.33
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.75
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-tert-butyl-5-chloro-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol?
The IUPAC name of [3-tert-butyl-5-chloro-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol (CID 58733808) is [3-tert-butyl-5-chloro-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [3-tert-butyl-5-chloro-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol?
The canonical SMILES for [3-tert-butyl-5-chloro-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol is CC(C)(C)c1nn(-c2ccc(C(F)(F)F)cc2)c(Cl)c1CO.
What is the InChIKey of [3-tert-butyl-5-chloro-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol?
The InChIKey is IZBPDNDTAHBXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N2O/c1-14(2,3)12-11(8-22)13(16)21(20-12)10-6-4-9(5-7-10)15(17,18)19/h4-7,22H,8H2,1-3H3.
What are the key properties of [3-tert-butyl-5-chloro-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol?
[3-tert-butyl-5-chloro-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol has a molecular weight of 332.75 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-tert-butyl-5-chloro-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 58733808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).