3-(4-bromophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide

C22H16BrN3O2 — CID 45030449

IUPAC3-(4-bromophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1cc(-c2ccc(Br)cc2)n[nH]1
InChIInChI=1S/C22H16BrN3O2/c23-16-8-6-15(7-9-16)20-14-21(26-25-20)22(27)24-17-10-12-19(13-11-17)28-18-4-2-1-3-5-18/h1-14H,(H,24,27)(H,25,26)
InChIKeyPBYDYDLBAXIBHX-UHFFFAOYSA-N
MW434.29 g/mol
LogP5.88
Rot. Bonds5

About 3-(4-bromophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide

3-(4-bromophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 45030449) has the molecular formula C22H16BrN3O2 and a molecular weight of 434.29 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID45030449
Molecular FormulaC22H16BrN3O2
Molecular Weight434.29 g/mol
Exact Mass433.04
IUPAC Name3-(4-bromophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1cc(-c2ccc(Br)cc2)n[nH]1
InChIInChI=1S/C22H16BrN3O2/c23-16-8-6-15(7-9-16)20-14-21(26-25-20)22(27)24-17-10-12-19(13-11-17)28-18-4-2-1-3-5-18/h1-14H,(H,24,27)(H,25,26)
InChIKeyPBYDYDLBAXIBHX-UHFFFAOYSA-N
XLogP5.88
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.29
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030503
3-(2-chlorophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920056
N-(4-acetamidophenyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 26273244
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 26586379
3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 45030415
3-(4-ethoxyphenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856766
N-(4-bromophenyl)-3-phenoxybenzamide
CID 1318843
3-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 24531993
3-(4-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)-1H-pyrazole-5-carboxamide
CID 46554089
N-[4-[3-(dimethylamino)propoxy]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 86898687
3-(4-methoxyphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 19508725
3-[4-(4-chlorophenoxy)phenyl]-1H-pyrazole-5-carboxylic acid
CID 131955014

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-bromophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide (CID 45030449) is 3-(4-bromophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-bromophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-bromophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc(-c2ccc(Br)cc2)n[nH]1.
What is the InChIKey of 3-(4-bromophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is PBYDYDLBAXIBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrN3O2/c23-16-8-6-15(7-9-16)20-14-21(26-25-20)22(27)24-17-10-12-19(13-11-17)28-18-4-2-1-3-5-18/h1-14H,(H,24,27)(H,25,26).
What are the key properties of 3-(4-bromophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide?
3-(4-bromophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 434.29 g/mol, XLogP of 5.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 45030449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).