(1,3-diethylpyrazol-5-yl)-(3,4-difluorophenyl)methanol

C14H16F2N2O — CID 105096371

IUPAC(1,3-diethylpyrazol-5-yl)-(3,4-difluorophenyl)methanol
SMILESCCc1cc(C(O)c2ccc(F)c(F)c2)n(CC)n1
InChIInChI=1S/C14H16F2N2O/c1-3-10-8-13(18(4-2)17-10)14(19)9-5-6-11(15)12(16)7-9/h5-8,14,19H,3-4H2,1-2H3
InChIKeyKOPXCJLAXCSMHP-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.83
Rot. Bonds4

About (1,3-diethylpyrazol-5-yl)-(3,4-difluorophenyl)methanol

(1,3-diethylpyrazol-5-yl)-(3,4-difluorophenyl)methanol (PubChem CID 105096371) has the molecular formula C14H16F2N2O and a molecular weight of 266.29 g/mol. Its IUPAC name is (1,3-diethylpyrazol-5-yl)-(3,4-difluorophenyl)methanol.

Molecular Properties

Compound Name(1,3-diethylpyrazol-5-yl)-(3,4-difluorophenyl)methanol
PubChem CID105096371
Molecular FormulaC14H16F2N2O
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name(1,3-diethylpyrazol-5-yl)-(3,4-difluorophenyl)methanol
SMILESCCc1cc(C(O)c2ccc(F)c(F)c2)n(CC)n1
InChIInChI=1S/C14H16F2N2O/c1-3-10-8-13(18(4-2)17-10)14(19)9-5-6-11(15)12(16)7-9/h5-8,14,19H,3-4H2,1-2H3
InChIKeyKOPXCJLAXCSMHP-UHFFFAOYSA-N
XLogP2.83
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1,3-diethylpyrazol-5-yl)-(2,3,4-trifluorophenyl)methanol
CID 105097047
(4-chloro-2-fluorophenyl)-(1,3-diethylpyrazol-5-yl)methanol
CID 105119892
(3-ethyl-1-methylpyrazol-5-yl)-(4-fluoro-3-methylphenyl)methanol
CID 105094043
(3-cyclobutylphenyl)-(1,3-diethylpyrazol-5-yl)methanol
CID 105132344
(3,4-difluorophenyl)-(3-propylimidazol-4-yl)methanol
CID 66129636
N-[(3,4-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
CID 105145666
1-(1,3-diethylpyrazol-5-yl)-2-methylpropan-1-ol
CID 105133593
(4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol
CID 63975266
(2-ethylpyrazol-3-yl)-(3-fluoro-4-methylphenyl)methanol
CID 63974209
[(1,3-diethylpyrazol-5-yl)-(4-fluorophenyl)methyl]hydrazine
CID 105284076
1,3-diethyl-5-propan-2-ylpyrazole
CID 118564106
(3,4-difluorophenyl)-(1-ethylimidazol-2-yl)methanol
CID 61314221

Frequently Asked Questions

What is the IUPAC name of (1,3-diethylpyrazol-5-yl)-(3,4-difluorophenyl)methanol?
The IUPAC name of (1,3-diethylpyrazol-5-yl)-(3,4-difluorophenyl)methanol (CID 105096371) is (1,3-diethylpyrazol-5-yl)-(3,4-difluorophenyl)methanol.
What is the SMILES notation for (1,3-diethylpyrazol-5-yl)-(3,4-difluorophenyl)methanol?
The canonical SMILES for (1,3-diethylpyrazol-5-yl)-(3,4-difluorophenyl)methanol is CCc1cc(C(O)c2ccc(F)c(F)c2)n(CC)n1.
What is the InChIKey of (1,3-diethylpyrazol-5-yl)-(3,4-difluorophenyl)methanol?
The InChIKey is KOPXCJLAXCSMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O/c1-3-10-8-13(18(4-2)17-10)14(19)9-5-6-11(15)12(16)7-9/h5-8,14,19H,3-4H2,1-2H3.
What are the key properties of (1,3-diethylpyrazol-5-yl)-(3,4-difluorophenyl)methanol?
(1,3-diethylpyrazol-5-yl)-(3,4-difluorophenyl)methanol has a molecular weight of 266.29 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diethylpyrazol-5-yl)-(3,4-difluorophenyl)methanol is sourced from PubChem (CID 105096371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).