[5-bromo-2-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methanol

C12H12BrN3O — CID 55078218

IUPAC[5-bromo-2-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methanol
SMILESOCc1cc(Br)cnc1-n1ccc(C2CC2)n1
InChIInChI=1S/C12H12BrN3O/c13-10-5-9(7-17)12(14-6-10)16-4-3-11(15-16)8-1-2-8/h3-6,8,17H,1-2,7H2
InChIKeyWGESZWUORFARTK-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.40
Rot. Bonds3

About [5-bromo-2-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methanol

[5-bromo-2-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methanol (PubChem CID 55078218) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is [5-bromo-2-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methanol
PubChem CID55078218
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name[5-bromo-2-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methanol
SMILESOCc1cc(Br)cnc1-n1ccc(C2CC2)n1
InChIInChI=1S/C12H12BrN3O/c13-10-5-9(7-17)12(14-6-10)16-4-3-11(15-16)8-1-2-8/h3-6,8,17H,1-2,7H2
InChIKeyWGESZWUORFARTK-UHFFFAOYSA-N
XLogP2.40
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-(1H-pyrazol-1-yl)pyridin-3-yl)methanol
CID 15980534
(2-(1H-Pyrazol-1-YL)pyridin-4-YL)methanol
CID 61256684
(2-(3-methyl-1H-pyrazol-1-yl)pyridin-4-yl)methanol
CID 62490553
[5-Bromo-2-[(3-methyltriazol-4-yl)methylamino]-3-pyridinyl]methanol
CID 132390971
(3S)-N-[5-bromo-3-(hydroxymethyl)-2-pyridinyl]-3-pyrazol-1-ylbutanamide
CID 164631021
{3-methyl-1-[5-(trifluoromethyl)-2-pyridyl]-1H-pyrazol-4-yl}methanol
CID 23111797
[6-[4-(Trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methanol
CID 64176934
3-methyl-1-(6-(4-(trifluoromethyl)-1H-pyrazol-1-yl)pyridin-3-yl)butan-1-ol
CID 68156412
1-(6-(4-(trifluoromethyl)-1H-pyrazol-1-yl)pyridin-3-yl)butan-1-ol
CID 68157758
(3-isopropyl-1-[5-(trifluoromethyl)-2-pyridyl]-1H-pyrazol-4-yl]methanol
CID 69644203
{3-(1-methylbutyl)-1-[5-(trifluoromethyl)-2-pyridyl]-1H-pyrazol-4-yl}methanol
CID 69644474
{3-butyl-1-[5-(trifluoromethyl)-2-pyridyl]-1H-pyrazol-4-yl}methanol
CID 69644527

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methanol?
The IUPAC name of [5-bromo-2-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methanol (CID 55078218) is [5-bromo-2-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [5-bromo-2-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methanol?
The canonical SMILES for [5-bromo-2-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methanol is OCc1cc(Br)cnc1-n1ccc(C2CC2)n1.
What is the InChIKey of [5-bromo-2-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methanol?
The InChIKey is WGESZWUORFARTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c13-10-5-9(7-17)12(14-6-10)16-4-3-11(15-16)8-1-2-8/h3-6,8,17H,1-2,7H2.
What are the key properties of [5-bromo-2-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methanol?
[5-bromo-2-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methanol has a molecular weight of 294.15 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 55078218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).