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

C17H16BrN3O2 — CID 2880611

IUPAC(2-bromophenyl)-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)methanone
SMILESCCC1=NN(C(=O)c2ccccc2Br)C(O)(c2ccncc2)C1
InChIInChI=1S/C17H16BrN3O2/c1-2-13-11-17(23,12-7-9-19-10-8-12)21(20-13)16(22)14-5-3-4-6-15(14)18/h3-10,23H,2,11H2,1H3
InChIKeyZNSPUWAREKHKQJ-UHFFFAOYSA-N
MW374.24 g/mol
LogP3.30
Rot. Bonds3

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

(2-bromophenyl)-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)methanone (PubChem CID 2880611) has the molecular formula C17H16BrN3O2 and a molecular weight of 374.24 g/mol. Its IUPAC name is (2-bromophenyl)-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)methanone.

Molecular Properties

Compound Name(2-bromophenyl)-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)methanone
PubChem CID2880611
Molecular FormulaC17H16BrN3O2
Molecular Weight374.24 g/mol
Exact Mass373.04
IUPAC Name(2-bromophenyl)-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)methanone
SMILESCCC1=NN(C(=O)c2ccccc2Br)C(O)(c2ccncc2)C1
InChIInChI=1S/C17H16BrN3O2/c1-2-13-11-17(23,12-7-9-19-10-8-12)21(20-13)16(22)14-5-3-4-6-15(14)18/h3-10,23H,2,11H2,1H3
InChIKeyZNSPUWAREKHKQJ-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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Related Compounds

1-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-2-phenylethanone
CID 2877858
3-methyl-1-(3-phenylpropanoyl)-5-(4-pyridinyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 2894737
3-methyl-1-[(4-methylphenyl)acetyl]-5-(3-pyridinyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 3123702
[3-(2-Bromophenyl)-5-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
CID 135860265
1-(2-bromobenzoyl)-3-methyl-5-(3-pyridinyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 3123700
1-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)-2-phenylethanone
CID 3136717
(5-Hydroxy-3-methyl-5-pyridin-4-yl-4,5-dihydropyrazol-1-yl)pyridin-4-ylmethanone
CID 3136710
3-(3-bromophenyl)-1-isonicotinoyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 2916694
(3-bromophenyl)-[5-hydroxy-5-pyridin-3-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 5172214
[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-pyridin-4-ylmethanone
CID 2884982
(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-pyridin-3-ylmethanone
CID 2845042
[5-hydroxy-5-pyridin-4-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanone
CID 3107169

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)methanone?
The IUPAC name of (2-bromophenyl)-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)methanone (CID 2880611) is (2-bromophenyl)-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)methanone.
What is the SMILES notation for (2-bromophenyl)-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)methanone?
The canonical SMILES for (2-bromophenyl)-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)methanone is CCC1=NN(C(=O)c2ccccc2Br)C(O)(c2ccncc2)C1.
What is the InChIKey of (2-bromophenyl)-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)methanone?
The InChIKey is ZNSPUWAREKHKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O2/c1-2-13-11-17(23,12-7-9-19-10-8-12)21(20-13)16(22)14-5-3-4-6-15(14)18/h3-10,23H,2,11H2,1H3.
What are the key properties of (2-bromophenyl)-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)methanone?
(2-bromophenyl)-(3-ethyl-5-hydroxy-5-pyridin-4-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 (2-bromophenyl)-(3-ethyl-5-hydroxy-5-pyridin-4-yl-4H-pyrazol-1-yl)methanone is sourced from PubChem (CID 2880611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).