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

C14H16BrFN2O2 — CID 114634965

IUPAC(5-bromo-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
SMILESCCCn1ncc(OC)c1C(O)c1cc(Br)ccc1F
InChIInChI=1S/C14H16BrFN2O2/c1-3-6-18-13(12(20-2)8-17-18)14(19)10-7-9(15)4-5-11(10)16/h4-5,7-8,14,19H,3,6H2,1-2H3
InChIKeyGPPHQEAFPCGSJS-UHFFFAOYSA-N
MW343.20 g/mol
LogP3.29
Rot. Bonds5

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

(5-bromo-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol (PubChem CID 114634965) has the molecular formula C14H16BrFN2O2 and a molecular weight of 343.20 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
PubChem CID114634965
Molecular FormulaC14H16BrFN2O2
Molecular Weight343.20 g/mol
Exact Mass342.04
IUPAC Name(5-bromo-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
SMILESCCCn1ncc(OC)c1C(O)c1cc(Br)ccc1F
InChIInChI=1S/C14H16BrFN2O2/c1-3-6-18-13(12(20-2)8-17-18)14(19)10-7-9(15)4-5-11(10)16/h4-5,7-8,14,19H,3,6H2,1-2H3
InChIKeyGPPHQEAFPCGSJS-UHFFFAOYSA-N
XLogP3.29
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.20
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromo-2-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114634963
(2-fluoro-4-methoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114645087
(4-bromo-3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114645987
4-bromo-2-[hydrazinyl-(4-methoxy-1-propylpyrazol-5-yl)methyl]aniline
CID 105263508
(5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine
CID 114894580
(2-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114634116
(1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114636784
(5-bromo-2-methylphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 115835016
4-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]benzonitrile
CID 114637571
(5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 115837682
(4-bromo-1-propylpyrazol-5-yl)-(2-methoxy-5-methylphenyl)methanol
CID 115835105
1-(3-bromo-4-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114660093

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol?
The IUPAC name of (5-bromo-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol (CID 114634965) is (5-bromo-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol is CCCn1ncc(OC)c1C(O)c1cc(Br)ccc1F.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol?
The InChIKey is GPPHQEAFPCGSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O2/c1-3-6-18-13(12(20-2)8-17-18)14(19)10-7-9(15)4-5-11(10)16/h4-5,7-8,14,19H,3,6H2,1-2H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol?
(5-bromo-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol has a molecular weight of 343.20 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol is sourced from PubChem (CID 114634965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).