4-bromo-N-(2-phenoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide

C19H18BrN3O2 — CID 56559943

IUPAC4-bromo-N-(2-phenoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)Nc2ccccc2Oc2ccccc2)c1Br
InChIInChI=1S/C19H18BrN3O2/c1-12(2)17-16(20)18(23-22-17)19(24)21-14-10-6-7-11-15(14)25-13-8-4-3-5-9-13/h3-12H,1-2H3,(H,21,24)(H,22,23)
InChIKeyBCFPLRZYUMBONE-UHFFFAOYSA-N
MW400.28 g/mol
LogP5.34
Rot. Bonds5

About 4-bromo-N-(2-phenoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide

4-bromo-N-(2-phenoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 56559943) has the molecular formula C19H18BrN3O2 and a molecular weight of 400.28 g/mol. Its IUPAC name is 4-bromo-N-(2-phenoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-phenoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID56559943
Molecular FormulaC19H18BrN3O2
Molecular Weight400.28 g/mol
Exact Mass399.06
IUPAC Name4-bromo-N-(2-phenoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)Nc2ccccc2Oc2ccccc2)c1Br
InChIInChI=1S/C19H18BrN3O2/c1-12(2)17-16(20)18(23-22-17)19(24)21-14-10-6-7-11-15(14)25-13-8-4-3-5-9-13/h3-12H,1-2H3,(H,21,24)(H,22,23)
InChIKeyBCFPLRZYUMBONE-UHFFFAOYSA-N
XLogP5.34
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.28
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2-phenoxyphenyl)-5-propyl-1H-pyrazole-3-carboxamide
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N-(3-benzoylphenyl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide
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4-bromo-N-[[2-(2-methylpropoxy)phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
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4-bromo-N-(4-phenylbutan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
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5-methyl-N-(2-phenoxyphenyl)-1,2-oxazole-4-carboxamide
CID 110682649
4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
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4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-phenoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-(2-phenoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 56559943) is 4-bromo-N-(2-phenoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-phenoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-(2-phenoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1[nH]nc(C(=O)Nc2ccccc2Oc2ccccc2)c1Br.
What is the InChIKey of 4-bromo-N-(2-phenoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is BCFPLRZYUMBONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O2/c1-12(2)17-16(20)18(23-22-17)19(24)21-14-10-6-7-11-15(14)25-13-8-4-3-5-9-13/h3-12H,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 4-bromo-N-(2-phenoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-bromo-N-(2-phenoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 400.28 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-phenoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56559943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).