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

C13H13ClF3N3O — CID 43333630

IUPAC[5-chloro-3-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol
SMILESCCCc1nn(-c2ccc(C(F)(F)F)cn2)c(Cl)c1CO
InChIInChI=1S/C13H13ClF3N3O/c1-2-3-10-9(7-21)12(14)20(19-10)11-5-4-8(6-18-11)13(15,16)17/h4-6,21H,2-3,7H2,1H3
InChIKeyWGKJBODFEIRXCE-UHFFFAOYSA-N
MW319.71 g/mol
LogP3.38
Rot. Bonds4

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

[5-chloro-3-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol (PubChem CID 43333630) has the molecular formula C13H13ClF3N3O and a molecular weight of 319.71 g/mol. Its IUPAC name is [5-chloro-3-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-chloro-3-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol
PubChem CID43333630
Molecular FormulaC13H13ClF3N3O
Molecular Weight319.71 g/mol
Exact Mass319.07
IUPAC Name[5-chloro-3-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol
SMILESCCCc1nn(-c2ccc(C(F)(F)F)cn2)c(Cl)c1CO
InChIInChI=1S/C13H13ClF3N3O/c1-2-3-10-9(7-21)12(14)20(19-10)11-5-4-8(6-18-11)13(15,16)17/h4-6,21H,2-3,7H2,1H3
InChIKeyWGKJBODFEIRXCE-UHFFFAOYSA-N
XLogP3.38
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.71
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol?
The IUPAC name of [5-chloro-3-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol (CID 43333630) is [5-chloro-3-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [5-chloro-3-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol?
The canonical SMILES for [5-chloro-3-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol is CCCc1nn(-c2ccc(C(F)(F)F)cn2)c(Cl)c1CO.
What is the InChIKey of [5-chloro-3-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol?
The InChIKey is WGKJBODFEIRXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3N3O/c1-2-3-10-9(7-21)12(14)20(19-10)11-5-4-8(6-18-11)13(15,16)17/h4-6,21H,2-3,7H2,1H3.
What are the key properties of [5-chloro-3-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol?
[5-chloro-3-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol has a molecular weight of 319.71 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 43333630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).