(2-bromo-6-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol

C13H13Br2FN2O — CID 114885652

IUPAC(2-bromo-6-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
SMILESCCCn1ncc(Br)c1C(O)c1c(F)cccc1Br
InChIInChI=1S/C13H13Br2FN2O/c1-2-6-18-12(9(15)7-17-18)13(19)11-8(14)4-3-5-10(11)16/h3-5,7,13,19H,2,6H2,1H3
InChIKeySVSYKVGQUCYYMO-UHFFFAOYSA-N
MW392.07 g/mol
LogP4.04
Rot. Bonds4

About (2-bromo-6-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol

(2-bromo-6-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol (PubChem CID 114885652) has the molecular formula C13H13Br2FN2O and a molecular weight of 392.07 g/mol. Its IUPAC name is (2-bromo-6-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(2-bromo-6-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
PubChem CID114885652
Molecular FormulaC13H13Br2FN2O
Molecular Weight392.07 g/mol
Exact Mass389.94
IUPAC Name(2-bromo-6-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
SMILESCCCn1ncc(Br)c1C(O)c1c(F)cccc1Br
InChIInChI=1S/C13H13Br2FN2O/c1-2-6-18-12(9(15)7-17-18)13(19)11-8(14)4-3-5-10(11)16/h3-5,7,13,19H,2,6H2,1H3
InChIKeySVSYKVGQUCYYMO-UHFFFAOYSA-N
XLogP4.04
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.07
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-2-pyridinyl)methanol
CID 114645127
(2-bromo-6-fluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 114885789
1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol
CID 115835068
(4-chloro-1-propylpyrazol-5-yl)-(2,6-difluorophenyl)methanol
CID 114634802
(2-bromophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 114634907
(2-bromo-6-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol
CID 114885779
1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-methylmethanamine
CID 105041511
(4-bromo-1-propylpyrazol-5-yl)-(2,3-dichlorophenyl)methanol
CID 114634680
[(2-bromo-6-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105280420
(4-bromo-1-propylpyrazol-5-yl)-(4-ethylphenyl)methanol
CID 114634794
(4-bromo-1-propylpyrazol-5-yl)-(3-propylimidazol-4-yl)methanol
CID 114636681
1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-fluorophenyl)ethanol
CID 114642960

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol?
The IUPAC name of (2-bromo-6-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol (CID 114885652) is (2-bromo-6-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol.
What is the SMILES notation for (2-bromo-6-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol?
The canonical SMILES for (2-bromo-6-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol is CCCn1ncc(Br)c1C(O)c1c(F)cccc1Br.
What is the InChIKey of (2-bromo-6-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol?
The InChIKey is SVSYKVGQUCYYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2FN2O/c1-2-6-18-12(9(15)7-17-18)13(19)11-8(14)4-3-5-10(11)16/h3-5,7,13,19H,2,6H2,1H3.
What are the key properties of (2-bromo-6-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol?
(2-bromo-6-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol has a molecular weight of 392.07 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol is sourced from PubChem (CID 114885652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).