(3-bromo-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanol

C13H14BrFN2O — CID 63974840

IUPAC(3-bromo-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H14BrFN2O/c1-2-7-17-12(5-6-16-17)13(18)9-3-4-11(15)10(14)8-9/h3-6,8,13,18H,2,7H2,1H3
InChIKeyDCZFHAHEVLYYJX-UHFFFAOYSA-N
MW313.17 g/mol
LogP3.28
Rot. Bonds4

About (3-bromo-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanol

(3-bromo-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanol (PubChem CID 63974840) has the molecular formula C13H14BrFN2O and a molecular weight of 313.17 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanol
PubChem CID63974840
Molecular FormulaC13H14BrFN2O
Molecular Weight313.17 g/mol
Exact Mass312.03
IUPAC Name(3-bromo-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H14BrFN2O/c1-2-7-17-12(5-6-16-17)13(18)9-3-4-11(15)10(14)8-9/h3-6,8,13,18H,2,7H2,1H3
InChIKeyDCZFHAHEVLYYJX-UHFFFAOYSA-N
XLogP3.28
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.17
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methanol
CID 65100970
(2-bromo-5-chlorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 66156283
(2-bromo-6-fluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 114885789
(4-chloro-2-fluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 63975297
(4-ethylphenyl)-(2-propylpyrazol-3-yl)methanol
CID 63976106
(2-propylpyrazol-3-yl)-pyrimidin-5-ylmethanol
CID 114556923
furan-3-yl-(2-propylpyrazol-3-yl)methanol
CID 63974629
1H-indol-5-yl-(2-propylpyrazol-3-yl)methanol
CID 114557062
(2-ethylpyrazol-3-yl)-(3-fluoro-4-methylphenyl)methanol
CID 63974209
(4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol
CID 63975266
(3,4-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 63977003
(2,3-difluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 63975691

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanol?
The IUPAC name of (3-bromo-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanol (CID 63974840) is (3-bromo-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanol.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanol?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanol is CCCn1nccc1C(O)c1ccc(F)c(Br)c1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanol?
The InChIKey is DCZFHAHEVLYYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O/c1-2-7-17-12(5-6-16-17)13(18)9-3-4-11(15)10(14)8-9/h3-6,8,13,18H,2,7H2,1H3.
What are the key properties of (3-bromo-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanol?
(3-bromo-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanol has a molecular weight of 313.17 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanol is sourced from PubChem (CID 63974840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).