3-(4-bromophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide

C19H18BrN3O3 — CID 86937596

IUPAC3-(4-bromophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(C(O)CNC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)c1
InChIInChI=1S/C19H18BrN3O3/c1-26-15-4-2-3-13(9-15)18(24)11-21-19(25)17-10-16(22-23-17)12-5-7-14(20)8-6-12/h2-10,18,24H,11H2,1H3,(H,21,25)(H,22,23)
InChIKeyNYULXIWVTKAIHZ-UHFFFAOYSA-N
MW416.28 g/mol
LogP3.31
Rot. Bonds6

About 3-(4-bromophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide

3-(4-bromophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 86937596) has the molecular formula C19H18BrN3O3 and a molecular weight of 416.28 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID86937596
Molecular FormulaC19H18BrN3O3
Molecular Weight416.28 g/mol
Exact Mass415.05
IUPAC Name3-(4-bromophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(C(O)CNC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)c1
InChIInChI=1S/C19H18BrN3O3/c1-26-15-4-2-3-13(9-15)18(24)11-21-19(25)17-10-16(22-23-17)12-5-7-14(20)8-6-12/h2-10,18,24H,11H2,1H3,(H,21,25)(H,22,23)
InChIKeyNYULXIWVTKAIHZ-UHFFFAOYSA-N
XLogP3.31
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.28
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-bromophenyl)-2-hydroxyethyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 171675382
N-[(3-bromophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46857012
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 97134220
5-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 111115526
3-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide
CID 112814117
4-cyano-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 111696533
5-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 111115498
3-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 24531993
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(1H-pyrazol-5-yl)acetamide
CID 111477462
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 110663377
6-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 111115461

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-bromophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide (CID 86937596) is 3-(4-bromophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-bromophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-bromophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide is COc1cccc(C(O)CNC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)c1.
What is the InChIKey of 3-(4-bromophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is NYULXIWVTKAIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O3/c1-26-15-4-2-3-13(9-15)18(24)11-21-19(25)17-10-16(22-23-17)12-5-7-14(20)8-6-12/h2-10,18,24H,11H2,1H3,(H,21,25)(H,22,23).
What are the key properties of 3-(4-bromophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide?
3-(4-bromophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 416.28 g/mol, XLogP of 3.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 86937596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).