(4-bromo-3-fluorophenyl)-(1-propylpyrazol-4-yl)methanol

C13H14BrFN2O — CID 81436029

IUPAC(4-bromo-3-fluorophenyl)-(1-propylpyrazol-4-yl)methanol
SMILESCCCn1cc(C(O)c2ccc(Br)c(F)c2)cn1
InChIInChI=1S/C13H14BrFN2O/c1-2-5-17-8-10(7-16-17)13(18)9-3-4-11(14)12(15)6-9/h3-4,6-8,13,18H,2,5H2,1H3
InChIKeyMQZKBNJSOXHVAL-UHFFFAOYSA-N
MW313.17 g/mol
LogP3.28
Rot. Bonds4

About (4-bromo-3-fluorophenyl)-(1-propylpyrazol-4-yl)methanol

(4-bromo-3-fluorophenyl)-(1-propylpyrazol-4-yl)methanol (PubChem CID 81436029) has the molecular formula C13H14BrFN2O and a molecular weight of 313.17 g/mol. Its IUPAC name is (4-bromo-3-fluorophenyl)-(1-propylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(4-bromo-3-fluorophenyl)-(1-propylpyrazol-4-yl)methanol
PubChem CID81436029
Molecular FormulaC13H14BrFN2O
Molecular Weight313.17 g/mol
Exact Mass312.03
IUPAC Name(4-bromo-3-fluorophenyl)-(1-propylpyrazol-4-yl)methanol
SMILESCCCn1cc(C(O)c2ccc(Br)c(F)c2)cn1
InChIInChI=1S/C13H14BrFN2O/c1-2-5-17-8-10(7-16-17)13(18)9-3-4-11(14)12(15)6-9/h3-4,6-8,13,18H,2,5H2,1H3
InChIKeyMQZKBNJSOXHVAL-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

1-(4-bromo-3-fluorophenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115807266
(3-bromo-4-chlorophenyl)-(1-propylpyrazol-4-yl)methanol
CID 115566276
(2-bromo-5-fluorophenyl)-(1-propylpyrazol-4-yl)methanol
CID 114981635
(3,5-dibromophenyl)-(1-propylpyrazol-4-yl)methanol
CID 114023332
(2-chloro-6-fluorophenyl)-(1-propylpyrazol-4-yl)methanol
CID 63895060
N-[(3-bromo-4-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 82788217
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-propylpyrazol-4-yl)methanol
CID 103572729
(4-bromo-3-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol
CID 114637315
(1-propylpyrazol-4-yl)-(2,4,6-trifluorophenyl)methanamine
CID 115808100
(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 63895357
(3-cyclopropyloxyphenyl)-(1-propylpyrazol-4-yl)methanol
CID 103572651
N-[(2-bromo-5-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 115808137

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-fluorophenyl)-(1-propylpyrazol-4-yl)methanol?
The IUPAC name of (4-bromo-3-fluorophenyl)-(1-propylpyrazol-4-yl)methanol (CID 81436029) is (4-bromo-3-fluorophenyl)-(1-propylpyrazol-4-yl)methanol.
What is the SMILES notation for (4-bromo-3-fluorophenyl)-(1-propylpyrazol-4-yl)methanol?
The canonical SMILES for (4-bromo-3-fluorophenyl)-(1-propylpyrazol-4-yl)methanol is CCCn1cc(C(O)c2ccc(Br)c(F)c2)cn1.
What is the InChIKey of (4-bromo-3-fluorophenyl)-(1-propylpyrazol-4-yl)methanol?
The InChIKey is MQZKBNJSOXHVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O/c1-2-5-17-8-10(7-16-17)13(18)9-3-4-11(14)12(15)6-9/h3-4,6-8,13,18H,2,5H2,1H3.
What are the key properties of (4-bromo-3-fluorophenyl)-(1-propylpyrazol-4-yl)methanol?
(4-bromo-3-fluorophenyl)-(1-propylpyrazol-4-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 (4-bromo-3-fluorophenyl)-(1-propylpyrazol-4-yl)methanol is sourced from PubChem (CID 81436029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).