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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Related Compounds

N-(4-methoxybenzyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015296
5-Methyl-1-[2'-(trifluoromethoxy)-1,1'-biphenyl-3-yl]-1H-pyrazole-3-carboxamide
CID 9950804
N-(2-methoxybenzyl)-1-(3-((2-(methylamino)ethylamino)methyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 25216415
1-(3-((2-aminoethylamino)methyl)phenyl)-N-(2-methoxybenzyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 46879898
N-(2-ethoxybenzyl)-1-(3-((2-(methylamino)ethylamino)methyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 46880044
5-amino-1-(2''-(trifluoromethoxy)biphenyl-3-yl)-1H-pyrazole-3-carboxamide
CID 49866007
1-[6-fluoro-2'-(trifluoromethoxy)-1,1'-biphenyl-3-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 49866119
1-(2''-(trifluoromethoxy)biphenyl-3-yl)-1H-pyrazole-3,5-dicarboxamide
CID 53320375
ethyl 3-carbamoyl-1-(2''-(trifluoromethoxy)biphenyl-3-yl)-1H-pyrazole-5-carboxylate
CID 53322584
5-(4-Methoxy-phenyl)-2-phenyl-2H-pyrazole-3-carboxylic acid hydrazide
CID 2387114
2-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)-N-(2-ethoxybenzyl)butanamide
CID 16022806
2-{3,4-Dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}-N-[2-(2-methoxyphenyl)ethyl]butanamide
CID 20919770

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).