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

C17H16BrN3O2 — CID 3141319

IUPAC(4-bromophenyl)-(3-ethyl-5-hydroxy-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone
SMILESCCC1=NN(C(=O)c2ccc(Br)cc2)C(O)(c2cccnc2)C1
InChIInChI=1S/C17H16BrN3O2/c1-2-15-10-17(23,13-4-3-9-19-11-13)21(20-15)16(22)12-5-7-14(18)8-6-12/h3-9,11,23H,2,10H2,1H3
InChIKeyGVNSSOHKEITSIC-UHFFFAOYSA-N
MW374.24 g/mol
LogP3.30
Rot. Bonds3

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

(4-bromophenyl)-(3-ethyl-5-hydroxy-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone (PubChem CID 3141319) has the molecular formula C17H16BrN3O2 and a molecular weight of 374.24 g/mol. Its IUPAC name is (4-bromophenyl)-(3-ethyl-5-hydroxy-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(3-ethyl-5-hydroxy-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone
PubChem CID3141319
Molecular FormulaC17H16BrN3O2
Molecular Weight374.24 g/mol
Exact Mass373.04
IUPAC Name(4-bromophenyl)-(3-ethyl-5-hydroxy-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone
SMILESCCC1=NN(C(=O)c2ccc(Br)cc2)C(O)(c2cccnc2)C1
InChIInChI=1S/C17H16BrN3O2/c1-2-15-10-17(23,13-4-3-9-19-11-13)21(20-15)16(22)12-5-7-14(18)8-6-12/h3-9,11,23H,2,10H2,1H3
InChIKeyGVNSSOHKEITSIC-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 (4-bromophenyl)-(3-ethyl-5-hydroxy-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone?
The IUPAC name of (4-bromophenyl)-(3-ethyl-5-hydroxy-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone (CID 3141319) is (4-bromophenyl)-(3-ethyl-5-hydroxy-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(3-ethyl-5-hydroxy-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(3-ethyl-5-hydroxy-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone is CCC1=NN(C(=O)c2ccc(Br)cc2)C(O)(c2cccnc2)C1.
What is the InChIKey of (4-bromophenyl)-(3-ethyl-5-hydroxy-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone?
The InChIKey is GVNSSOHKEITSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O2/c1-2-15-10-17(23,13-4-3-9-19-11-13)21(20-15)16(22)12-5-7-14(18)8-6-12/h3-9,11,23H,2,10H2,1H3.
What are the key properties of (4-bromophenyl)-(3-ethyl-5-hydroxy-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone?
(4-bromophenyl)-(3-ethyl-5-hydroxy-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone 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 (4-bromophenyl)-(3-ethyl-5-hydroxy-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone is sourced from PubChem (CID 3141319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).