(4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-2-pyridinyl)methanol

C12H13BrFN3O — CID 114645127

IUPAC(4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-2-pyridinyl)methanol
SMILESCCCn1ncc(Br)c1C(O)c1ncccc1F
InChIInChI=1S/C12H13BrFN3O/c1-2-6-17-11(8(13)7-16-17)12(18)10-9(14)4-3-5-15-10/h3-5,7,12,18H,2,6H2,1H3
InChIKeyKQTGIVWYNREVNN-UHFFFAOYSA-N
MW314.16 g/mol
LogP2.67
Rot. Bonds4

About (4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-2-pyridinyl)methanol

(4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-2-pyridinyl)methanol (PubChem CID 114645127) has the molecular formula C12H13BrFN3O and a molecular weight of 314.16 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-2-pyridinyl)methanol.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-2-pyridinyl)methanol
PubChem CID114645127
Molecular FormulaC12H13BrFN3O
Molecular Weight314.16 g/mol
Exact Mass313.02
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-2-pyridinyl)methanol
SMILESCCCn1ncc(Br)c1C(O)c1ncccc1F
InChIInChI=1S/C12H13BrFN3O/c1-2-6-17-11(8(13)7-16-17)12(18)10-9(14)4-3-5-15-10/h3-5,7,12,18H,2,6H2,1H3
InChIKeyKQTGIVWYNREVNN-UHFFFAOYSA-N
XLogP2.67
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.16
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromo-6-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 114885652
1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol
CID 115835068
(2-bromophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 114634907
[(4-bromo-1-ethylpyrazol-5-yl)-(3-fluoro-2-pyridinyl)methyl]hydrazine
CID 105257897
(4-bromo-1-propylpyrazol-5-yl)-(2,3-dichlorophenyl)methanol
CID 114634680
(4-bromo-1-propylpyrazol-5-yl)-(2-ethoxyphenyl)methanol
CID 114634115
(4-chloro-1-methylpyrazol-5-yl)-(3-fluoro-2-pyridinyl)methanol
CID 114645125
(4-bromo-1-propylpyrazol-5-yl)-(4-ethylphenyl)methanol
CID 114634794
N-[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine
CID 103444915
1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-fluorophenyl)ethanol
CID 114642960
(1S)-1-(4-bromo-1-propylpyrazol-5-yl)-2,2,2-trifluoroethanol
CID 104940519
(3-bromo-4-methylphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 115835104

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-2-pyridinyl)methanol?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-2-pyridinyl)methanol (CID 114645127) is (4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-2-pyridinyl)methanol.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-2-pyridinyl)methanol?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-2-pyridinyl)methanol is CCCn1ncc(Br)c1C(O)c1ncccc1F.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-2-pyridinyl)methanol?
The InChIKey is KQTGIVWYNREVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN3O/c1-2-6-17-11(8(13)7-16-17)12(18)10-9(14)4-3-5-15-10/h3-5,7,12,18H,2,6H2,1H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-2-pyridinyl)methanol?
(4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-2-pyridinyl)methanol has a molecular weight of 314.16 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-2-pyridinyl)methanol is sourced from PubChem (CID 114645127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).