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

C13H13ClF3N3O — CID 43156502

IUPAC[5-chloro-3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol
SMILESCC(C)c1nn(-c2ccc(C(F)(F)F)cn2)c(Cl)c1CO
InChIInChI=1S/C13H13ClF3N3O/c1-7(2)11-9(6-21)12(14)20(19-11)10-4-3-8(5-18-10)13(15,16)17/h3-5,7,21H,6H2,1-2H3
InChIKeyKCCITFFUQUHBGG-UHFFFAOYSA-N
MW319.71 g/mol
LogP3.56
Rot. Bonds3

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

[5-chloro-3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol (PubChem CID 43156502) has the molecular formula C13H13ClF3N3O and a molecular weight of 319.71 g/mol. Its IUPAC name is [5-chloro-3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-chloro-3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol
PubChem CID43156502
Molecular FormulaC13H13ClF3N3O
Molecular Weight319.71 g/mol
Exact Mass319.07
IUPAC Name[5-chloro-3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol
SMILESCC(C)c1nn(-c2ccc(C(F)(F)F)cn2)c(Cl)c1CO
InChIInChI=1S/C13H13ClF3N3O/c1-7(2)11-9(6-21)12(14)20(19-11)10-4-3-8(5-18-10)13(15,16)17/h3-5,7,21H,6H2,1-2H3
InChIKeyKCCITFFUQUHBGG-UHFFFAOYSA-N
XLogP3.56
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.71
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol?
The IUPAC name of [5-chloro-3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol (CID 43156502) is [5-chloro-3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [5-chloro-3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol?
The canonical SMILES for [5-chloro-3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol is CC(C)c1nn(-c2ccc(C(F)(F)F)cn2)c(Cl)c1CO.
What is the InChIKey of [5-chloro-3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol?
The InChIKey is KCCITFFUQUHBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3N3O/c1-7(2)11-9(6-21)12(14)20(19-11)10-4-3-8(5-18-10)13(15,16)17/h3-5,7,21H,6H2,1-2H3.
What are the key properties of [5-chloro-3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol?
[5-chloro-3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol has a molecular weight of 319.71 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 43156502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).