[1-propyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol

C14H15F3N2O — CID 58906944

IUPAC[1-propyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol
SMILESCCCn1nc(-c2ccc(C(F)(F)F)cc2)cc1CO
InChIInChI=1S/C14H15F3N2O/c1-2-7-19-12(9-20)8-13(18-19)10-3-5-11(6-4-10)14(15,16)17/h3-6,8,20H,2,7,9H2,1H3
InChIKeyJKWYHUJHURIBQB-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.47
Rot. Bonds4

About [1-propyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol

[1-propyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol (PubChem CID 58906944) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is [1-propyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[1-propyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol
PubChem CID58906944
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name[1-propyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol
SMILESCCCn1nc(-c2ccc(C(F)(F)F)cc2)cc1CO
InChIInChI=1S/C14H15F3N2O/c1-2-7-19-12(9-20)8-13(18-19)10-3-5-11(6-4-10)14(15,16)17/h3-6,8,20H,2,7,9H2,1H3
InChIKeyJKWYHUJHURIBQB-UHFFFAOYSA-N
XLogP3.47
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-propyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol?
The IUPAC name of [1-propyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol (CID 58906944) is [1-propyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol.
What is the SMILES notation for [1-propyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol?
The canonical SMILES for [1-propyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol is CCCn1nc(-c2ccc(C(F)(F)F)cc2)cc1CO.
What is the InChIKey of [1-propyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol?
The InChIKey is JKWYHUJHURIBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-2-7-19-12(9-20)8-13(18-19)10-3-5-11(6-4-10)14(15,16)17/h3-6,8,20H,2,7,9H2,1H3.
What are the key properties of [1-propyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol?
[1-propyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol has a molecular weight of 284.28 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-propyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol is sourced from PubChem (CID 58906944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).