(3-tert-butyl-1-methylpyrazol-4-yl)-(2-fluorophenyl)methanol

C15H19FN2O — CID 83090575

IUPAC(3-tert-butyl-1-methylpyrazol-4-yl)-(2-fluorophenyl)methanol
SMILESCn1cc(C(O)c2ccccc2F)c(C(C)(C)C)n1
InChIInChI=1S/C15H19FN2O/c1-15(2,3)14-11(9-18(4)17-14)13(19)10-7-5-6-8-12(10)16/h5-9,13,19H,1-4H3
InChIKeyOCJWHBNZPJIJLH-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.94
Rot. Bonds2

About (3-tert-butyl-1-methylpyrazol-4-yl)-(2-fluorophenyl)methanol

(3-tert-butyl-1-methylpyrazol-4-yl)-(2-fluorophenyl)methanol (PubChem CID 83090575) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is (3-tert-butyl-1-methylpyrazol-4-yl)-(2-fluorophenyl)methanol.

Molecular Properties

Compound Name(3-tert-butyl-1-methylpyrazol-4-yl)-(2-fluorophenyl)methanol
PubChem CID83090575
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name(3-tert-butyl-1-methylpyrazol-4-yl)-(2-fluorophenyl)methanol
SMILESCn1cc(C(O)c2ccccc2F)c(C(C)(C)C)n1
InChIInChI=1S/C15H19FN2O/c1-15(2,3)14-11(9-18(4)17-14)13(19)10-7-5-6-8-12(10)16/h5-9,13,19H,1-4H3
InChIKeyOCJWHBNZPJIJLH-UHFFFAOYSA-N
XLogP2.94
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-fluorophenyl)-(3-tert-butyl-1-methylpyrazol-4-yl)methanol
CID 83091258
(3-tert-butyl-1-methylpyrazol-4-yl)-phenylmethanol
CID 83090018
(3-tert-butyl-1-methylpyrazol-4-yl)-(2,5-dichlorophenyl)methanol
CID 83091560
(3-bromo-2,6-difluorophenyl)-(3-tert-butyl-1-methylpyrazol-4-yl)methanol
CID 106941468
1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-chloro-6-fluorophenyl)ethanol
CID 83091917
bis(2-fluorophenyl)methanol
CID 18424663
1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 83090827
(3-tert-butyl-1-methylpyrazol-4-yl)-(5-chlorothiophen-2-yl)methanol
CID 83091647
(2-fluorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 61088379
(3-tert-butyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782248
(4-bromo-1-methylpyrazol-5-yl)-(3-tert-butyl-1-methylpyrazol-4-yl)methanol
CID 114638010
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)ethanol
CID 83092233

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-1-methylpyrazol-4-yl)-(2-fluorophenyl)methanol?
The IUPAC name of (3-tert-butyl-1-methylpyrazol-4-yl)-(2-fluorophenyl)methanol (CID 83090575) is (3-tert-butyl-1-methylpyrazol-4-yl)-(2-fluorophenyl)methanol.
What is the SMILES notation for (3-tert-butyl-1-methylpyrazol-4-yl)-(2-fluorophenyl)methanol?
The canonical SMILES for (3-tert-butyl-1-methylpyrazol-4-yl)-(2-fluorophenyl)methanol is Cn1cc(C(O)c2ccccc2F)c(C(C)(C)C)n1.
What is the InChIKey of (3-tert-butyl-1-methylpyrazol-4-yl)-(2-fluorophenyl)methanol?
The InChIKey is OCJWHBNZPJIJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-15(2,3)14-11(9-18(4)17-14)13(19)10-7-5-6-8-12(10)16/h5-9,13,19H,1-4H3.
What are the key properties of (3-tert-butyl-1-methylpyrazol-4-yl)-(2-fluorophenyl)methanol?
(3-tert-butyl-1-methylpyrazol-4-yl)-(2-fluorophenyl)methanol has a molecular weight of 262.33 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-1-methylpyrazol-4-yl)-(2-fluorophenyl)methanol is sourced from PubChem (CID 83090575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).