[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol

C8H11F3N2O — CID 121213174

IUPAC[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
SMILESCC(C)c1[nH]nc(C(F)(F)F)c1CO
InChIInChI=1S/C8H11F3N2O/c1-4(2)6-5(3-14)7(13-12-6)8(9,10)11/h4,14H,3H2,1-2H3,(H,12,13)
InChIKeyWJHMDCAWISOINA-UHFFFAOYSA-N
MW208.18 g/mol
LogP2.04
Rot. Bonds2

About [5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol

[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol (PubChem CID 121213174) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is [5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
PubChem CID121213174
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
SMILESCC(C)c1[nH]nc(C(F)(F)F)c1CO
InChIInChI=1S/C8H11F3N2O/c1-4(2)6-5(3-14)7(13-12-6)8(9,10)11/h4,14H,3H2,1-2H3,(H,12,13)
InChIKeyWJHMDCAWISOINA-UHFFFAOYSA-N
XLogP2.04
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol?
The IUPAC name of [5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol (CID 121213174) is [5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol.
What is the SMILES notation for [5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol?
The canonical SMILES for [5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol is CC(C)c1[nH]nc(C(F)(F)F)c1CO.
What is the InChIKey of [5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol?
The InChIKey is WJHMDCAWISOINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-4(2)6-5(3-14)7(13-12-6)8(9,10)11/h4,14H,3H2,1-2H3,(H,12,13).
What are the key properties of [5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol?
[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol has a molecular weight of 208.18 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol is sourced from PubChem (CID 121213174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).