5-methyl-1-[3-(2-phenoxyphenyl)phenyl]pyrazole-3-carboxamide

C23H19N3O2 — CID 11268687

IUPAC5-methyl-1-[3-(2-phenoxyphenyl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(N)=O)nn1-c1cccc(-c2ccccc2Oc2ccccc2)c1
InChIInChI=1S/C23H19N3O2/c1-16-14-21(23(24)27)25-26(16)18-9-7-8-17(15-18)20-12-5-6-13-22(20)28-19-10-3-2-4-11-19/h2-15H,1H3,(H2,24,27)
InChIKeyUNQDKXANLSGBAK-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.74
Rot. Bonds5

About 5-methyl-1-[3-(2-phenoxyphenyl)phenyl]pyrazole-3-carboxamide

5-methyl-1-[3-(2-phenoxyphenyl)phenyl]pyrazole-3-carboxamide (PubChem CID 11268687) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 5-methyl-1-[3-(2-phenoxyphenyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-1-[3-(2-phenoxyphenyl)phenyl]pyrazole-3-carboxamide
PubChem CID11268687
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name5-methyl-1-[3-(2-phenoxyphenyl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(N)=O)nn1-c1cccc(-c2ccccc2Oc2ccccc2)c1
InChIInChI=1S/C23H19N3O2/c1-16-14-21(23(24)27)25-26(16)18-9-7-8-17(15-18)20-12-5-6-13-22(20)28-19-10-3-2-4-11-19/h2-15H,1H3,(H2,24,27)
InChIKeyUNQDKXANLSGBAK-UHFFFAOYSA-N
XLogP4.74
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[3-(2-phenoxyphenyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-1-[3-(2-phenoxyphenyl)phenyl]pyrazole-3-carboxamide (CID 11268687) is 5-methyl-1-[3-(2-phenoxyphenyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-1-[3-(2-phenoxyphenyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-1-[3-(2-phenoxyphenyl)phenyl]pyrazole-3-carboxamide is Cc1cc(C(N)=O)nn1-c1cccc(-c2ccccc2Oc2ccccc2)c1.
What is the InChIKey of 5-methyl-1-[3-(2-phenoxyphenyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is UNQDKXANLSGBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-16-14-21(23(24)27)25-26(16)18-9-7-8-17(15-18)20-12-5-6-13-22(20)28-19-10-3-2-4-11-19/h2-15H,1H3,(H2,24,27).
What are the key properties of 5-methyl-1-[3-(2-phenoxyphenyl)phenyl]pyrazole-3-carboxamide?
5-methyl-1-[3-(2-phenoxyphenyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[3-(2-phenoxyphenyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 11268687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).