(3,5-difluorophenyl)-(5-ethyl-1H-pyrazol-4-yl)methanol

C12H12F2N2O — CID 174709726

IUPAC(3,5-difluorophenyl)-(5-ethyl-1H-pyrazol-4-yl)methanol
SMILESCCc1[nH]ncc1C(O)c1cc(F)cc(F)c1
InChIInChI=1S/C12H12F2N2O/c1-2-11-10(6-15-16-11)12(17)7-3-8(13)5-9(14)4-7/h3-6,12,17H,2H2,1H3,(H,15,16)
InChIKeyAVAJEXVBELOELM-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.33
Rot. Bonds3

About (3,5-difluorophenyl)-(5-ethyl-1H-pyrazol-4-yl)methanol

(3,5-difluorophenyl)-(5-ethyl-1H-pyrazol-4-yl)methanol (PubChem CID 174709726) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(5-ethyl-1H-pyrazol-4-yl)methanol.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(5-ethyl-1H-pyrazol-4-yl)methanol
PubChem CID174709726
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name(3,5-difluorophenyl)-(5-ethyl-1H-pyrazol-4-yl)methanol
SMILESCCc1[nH]ncc1C(O)c1cc(F)cc(F)c1
InChIInChI=1S/C12H12F2N2O/c1-2-11-10(6-15-16-11)12(17)7-3-8(13)5-9(14)4-7/h3-6,12,17H,2H2,1H3,(H,15,16)
InChIKeyAVAJEXVBELOELM-UHFFFAOYSA-N
XLogP2.33
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(5-ethyl-1H-pyrazol-4-yl)methanol?
The IUPAC name of (3,5-difluorophenyl)-(5-ethyl-1H-pyrazol-4-yl)methanol (CID 174709726) is (3,5-difluorophenyl)-(5-ethyl-1H-pyrazol-4-yl)methanol.
What is the SMILES notation for (3,5-difluorophenyl)-(5-ethyl-1H-pyrazol-4-yl)methanol?
The canonical SMILES for (3,5-difluorophenyl)-(5-ethyl-1H-pyrazol-4-yl)methanol is CCc1[nH]ncc1C(O)c1cc(F)cc(F)c1.
What is the InChIKey of (3,5-difluorophenyl)-(5-ethyl-1H-pyrazol-4-yl)methanol?
The InChIKey is AVAJEXVBELOELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-2-11-10(6-15-16-11)12(17)7-3-8(13)5-9(14)4-7/h3-6,12,17H,2H2,1H3,(H,15,16).
What are the key properties of (3,5-difluorophenyl)-(5-ethyl-1H-pyrazol-4-yl)methanol?
(3,5-difluorophenyl)-(5-ethyl-1H-pyrazol-4-yl)methanol has a molecular weight of 238.24 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(5-ethyl-1H-pyrazol-4-yl)methanol is sourced from PubChem (CID 174709726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).