(2-bromophenyl)-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone

C16H14BrN3O2 — CID 3123700

IUPAC(2-bromophenyl)-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone
SMILESCC1=NN(C(=O)c2ccccc2Br)C(O)(c2cccnc2)C1
InChIInChI=1S/C16H14BrN3O2/c1-11-9-16(22,12-5-4-8-18-10-12)20(19-11)15(21)13-6-2-3-7-14(13)17/h2-8,10,22H,9H2,1H3
InChIKeyXPIJWYPCTSEGHG-UHFFFAOYSA-N
MW360.21 g/mol
LogP2.91
Rot. Bonds2

About (2-bromophenyl)-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone

(2-bromophenyl)-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone (PubChem CID 3123700) has the molecular formula C16H14BrN3O2 and a molecular weight of 360.21 g/mol. Its IUPAC name is (2-bromophenyl)-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone.

Molecular Properties

Compound Name(2-bromophenyl)-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone
PubChem CID3123700
Molecular FormulaC16H14BrN3O2
Molecular Weight360.21 g/mol
Exact Mass359.03
IUPAC Name(2-bromophenyl)-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone
SMILESCC1=NN(C(=O)c2ccccc2Br)C(O)(c2cccnc2)C1
InChIInChI=1S/C16H14BrN3O2/c1-11-9-16(22,12-5-4-8-18-10-12)20(19-11)15(21)13-6-2-3-7-14(13)17/h2-8,10,22H,9H2,1H3
InChIKeyXPIJWYPCTSEGHG-UHFFFAOYSA-N
XLogP2.91
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone?
The IUPAC name of (2-bromophenyl)-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone (CID 3123700) is (2-bromophenyl)-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone.
What is the SMILES notation for (2-bromophenyl)-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone?
The canonical SMILES for (2-bromophenyl)-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone is CC1=NN(C(=O)c2ccccc2Br)C(O)(c2cccnc2)C1.
What is the InChIKey of (2-bromophenyl)-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone?
The InChIKey is XPIJWYPCTSEGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2/c1-11-9-16(22,12-5-4-8-18-10-12)20(19-11)15(21)13-6-2-3-7-14(13)17/h2-8,10,22H,9H2,1H3.
What are the key properties of (2-bromophenyl)-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone?
(2-bromophenyl)-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone has a molecular weight of 360.21 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone is sourced from PubChem (CID 3123700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).