1-(4-chlorophenyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-5-phenylpyrazole-3-carboxamide

C25H17ClN4O2 — CID 70180445

IUPAC1-(4-chlorophenyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-5-phenylpyrazole-3-carboxamide
SMILESO=C(Nc1cccc(-c2cnco2)c1)c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C25H17ClN4O2/c26-19-9-11-21(12-10-19)30-23(17-5-2-1-3-6-17)14-22(29-30)25(31)28-20-8-4-7-18(13-20)24-15-27-16-32-24/h1-16H,(H,28,31)
InChIKeyCIDQSAMBKWUZSD-UHFFFAOYSA-N
MW440.89 g/mol
LogP6.10
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-5-phenylpyrazole-3-carboxamide

1-(4-chlorophenyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-5-phenylpyrazole-3-carboxamide (PubChem CID 70180445) has the molecular formula C25H17ClN4O2 and a molecular weight of 440.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-5-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-5-phenylpyrazole-3-carboxamide
PubChem CID70180445
Molecular FormulaC25H17ClN4O2
Molecular Weight440.89 g/mol
Exact Mass440.10
IUPAC Name1-(4-chlorophenyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-5-phenylpyrazole-3-carboxamide
SMILESO=C(Nc1cccc(-c2cnco2)c1)c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C25H17ClN4O2/c26-19-9-11-21(12-10-19)30-23(17-5-2-1-3-6-17)14-22(29-30)25(31)28-20-8-4-7-18(13-20)24-15-27-16-32-24/h1-16H,(H,28,31)
InChIKeyCIDQSAMBKWUZSD-UHFFFAOYSA-N
XLogP6.10
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.89
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-5-phenylpyrazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-5-phenylpyrazole-3-carboxamide (CID 70180445) is 1-(4-chlorophenyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-5-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-5-phenylpyrazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-5-phenylpyrazole-3-carboxamide is O=C(Nc1cccc(-c2cnco2)c1)c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-5-phenylpyrazole-3-carboxamide?
The InChIKey is CIDQSAMBKWUZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN4O2/c26-19-9-11-21(12-10-19)30-23(17-5-2-1-3-6-17)14-22(29-30)25(31)28-20-8-4-7-18(13-20)24-15-27-16-32-24/h1-16H,(H,28,31).
What are the key properties of 1-(4-chlorophenyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-5-phenylpyrazole-3-carboxamide?
1-(4-chlorophenyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-5-phenylpyrazole-3-carboxamide has a molecular weight of 440.89 g/mol, XLogP of 6.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-5-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 70180445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).