3-(2-methoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-1-phenylpyrazole-4-carboxamide

C25H20N4O3 — CID 35606382

IUPAC3-(2-methoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc2oc(C)nc2c1
InChIInChI=1S/C25H20N4O3/c1-16-26-21-14-17(12-13-23(21)32-16)27-25(30)20-15-29(18-8-4-3-5-9-18)28-24(20)19-10-6-7-11-22(19)31-2/h3-15H,1-2H3,(H,27,30)
InChIKeyKHSGJOOJBJVADT-UHFFFAOYSA-N
MW424.46 g/mol
LogP5.25
Rot. Bonds5

About 3-(2-methoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-1-phenylpyrazole-4-carboxamide

3-(2-methoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-1-phenylpyrazole-4-carboxamide (PubChem CID 35606382) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-1-phenylpyrazole-4-carboxamide
PubChem CID35606382
Molecular FormulaC25H20N4O3
Molecular Weight424.46 g/mol
Exact Mass424.15
IUPAC Name3-(2-methoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc2oc(C)nc2c1
InChIInChI=1S/C25H20N4O3/c1-16-26-21-14-17(12-13-23(21)32-16)27-25(30)20-15-29(18-8-4-3-5-9-18)28-24(20)19-10-6-7-11-22(19)31-2/h3-15H,1-2H3,(H,27,30)
InChIKeyKHSGJOOJBJVADT-UHFFFAOYSA-N
XLogP5.25
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.46
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methoxyphenyl)-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
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3-(2-methoxyphenyl)-1-phenyl-N-pyridin-4-ylpyrazole-4-carboxamide
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N-(4-fluorophenyl)-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
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3-(2-methoxyphenyl)-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-phenylpyrazole-4-carboxamide
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CID 34544116
3-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1-phenylpyrazole-4-carboxamide
CID 41104750
N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybenzamide
CID 30035454
N-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 86951551
5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenyltriazole-4-carboxamide
CID 9490444
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 26686873
N-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31131413
N-(4-carbamoyl-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-1-phenylpyrazole-4-carboxamide (CID 35606382) is 3-(2-methoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-1-phenylpyrazole-4-carboxamide is COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc2oc(C)nc2c1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is KHSGJOOJBJVADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3/c1-16-26-21-14-17(12-13-23(21)32-16)27-25(30)20-15-29(18-8-4-3-5-9-18)28-24(20)19-10-6-7-11-22(19)31-2/h3-15H,1-2H3,(H,27,30).
What are the key properties of 3-(2-methoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-1-phenylpyrazole-4-carboxamide?
3-(2-methoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 35606382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).