[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-pyridin-4-ylmethanone

C17H16BrN3O2 — CID 2884982

IUPAC[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-pyridin-4-ylmethanone
SMILESCCC1=NN(C(=O)c2ccncc2)C(O)(c2ccc(Br)cc2)C1
InChIInChI=1S/C17H16BrN3O2/c1-2-15-11-17(23,13-3-5-14(18)6-4-13)21(20-15)16(22)12-7-9-19-10-8-12/h3-10,23H,2,11H2,1H3
InChIKeyOBJLQBPXGUSGFV-UHFFFAOYSA-N
MW374.24 g/mol
LogP3.30
Rot. Bonds3

About [5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-pyridin-4-ylmethanone

[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-pyridin-4-ylmethanone (PubChem CID 2884982) has the molecular formula C17H16BrN3O2 and a molecular weight of 374.24 g/mol. Its IUPAC name is [5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-pyridin-4-ylmethanone
PubChem CID2884982
Molecular FormulaC17H16BrN3O2
Molecular Weight374.24 g/mol
Exact Mass373.04
IUPAC Name[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-pyridin-4-ylmethanone
SMILESCCC1=NN(C(=O)c2ccncc2)C(O)(c2ccc(Br)cc2)C1
InChIInChI=1S/C17H16BrN3O2/c1-2-15-11-17(23,13-3-5-14(18)6-4-13)21(20-15)16(22)12-7-9-19-10-8-12/h3-10,23H,2,11H2,1H3
InChIKeyOBJLQBPXGUSGFV-UHFFFAOYSA-N
XLogP3.30
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-pyridin-4-ylmethanone (CID 2884982) is [5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-pyridin-4-ylmethanone is CCC1=NN(C(=O)c2ccncc2)C(O)(c2ccc(Br)cc2)C1.
What is the InChIKey of [5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-pyridin-4-ylmethanone?
The InChIKey is OBJLQBPXGUSGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O2/c1-2-15-11-17(23,13-3-5-14(18)6-4-13)21(20-15)16(22)12-7-9-19-10-8-12/h3-10,23H,2,11H2,1H3.
What are the key properties of [5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-pyridin-4-ylmethanone?
[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-pyridin-4-ylmethanone has a molecular weight of 374.24 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 2884982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).