[phenyl(pyridin-4-yl)methyl] 5-methyl-1-(3-methylphenyl)pyrazole-4-carboxylate

C24H21N3O2 — CID 47079383

IUPAC[phenyl(pyridin-4-yl)methyl] 5-methyl-1-(3-methylphenyl)pyrazole-4-carboxylate
SMILESCc1cccc(-n2ncc(C(=O)OC(c3ccccc3)c3ccncc3)c2C)c1
InChIInChI=1S/C24H21N3O2/c1-17-7-6-10-21(15-17)27-18(2)22(16-26-27)24(28)29-23(19-8-4-3-5-9-19)20-11-13-25-14-12-20/h3-16,23H,1-2H3
InChIKeyXFSICJFUQBJJIY-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.83
Rot. Bonds5

About [phenyl(pyridin-4-yl)methyl] 5-methyl-1-(3-methylphenyl)pyrazole-4-carboxylate

[phenyl(pyridin-4-yl)methyl] 5-methyl-1-(3-methylphenyl)pyrazole-4-carboxylate (PubChem CID 47079383) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is [phenyl(pyridin-4-yl)methyl] 5-methyl-1-(3-methylphenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Name[phenyl(pyridin-4-yl)methyl] 5-methyl-1-(3-methylphenyl)pyrazole-4-carboxylate
PubChem CID47079383
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name[phenyl(pyridin-4-yl)methyl] 5-methyl-1-(3-methylphenyl)pyrazole-4-carboxylate
SMILESCc1cccc(-n2ncc(C(=O)OC(c3ccccc3)c3ccncc3)c2C)c1
InChIInChI=1S/C24H21N3O2/c1-17-7-6-10-21(15-17)27-18(2)22(16-26-27)24(28)29-23(19-8-4-3-5-9-19)20-11-13-25-14-12-20/h3-16,23H,1-2H3
InChIKeyXFSICJFUQBJJIY-UHFFFAOYSA-N
XLogP4.83
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[phenyl(pyridin-4-yl)methyl] 1,5-dimethylpyrazole-4-carboxylate
CID 51097573
5-methyl-1-(3-methylphenyl)-N-pyridin-4-ylpyrazole-4-carboxamide
CID 25343532
5-methyl-1-(3-methylphenyl)-N-(2-phenylbutyl)pyrazole-4-carboxamide
CID 46549741
N-[(S)-cyclopropyl(phenyl)methyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 36860846
2-[methyl-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]propanoic acid
CID 119208682
N-[1-(3-benzamidophenyl)ethyl]-N,5-dimethyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 46549850
5-methyl-1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)pyrazole-4-carboxamide
CID 36704468
[phenyl(pyridin-4-yl)methyl] 1H-indazole-7-carboxylate
CID 86863186
[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-piperazin-1-ylmethanone
CID 82528763
1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxylic acid
CID 46261236
ethyl 5-chloro-1-(3-methylphenyl)pyrazole-4-carboxylate
CID 21289675
[phenyl(1,3-thiazol-2-yl)methyl] 1,5-dimethylpyrazole-4-carboxylate
CID 84594086

Frequently Asked Questions

What is the IUPAC name of [phenyl(pyridin-4-yl)methyl] 5-methyl-1-(3-methylphenyl)pyrazole-4-carboxylate?
The IUPAC name of [phenyl(pyridin-4-yl)methyl] 5-methyl-1-(3-methylphenyl)pyrazole-4-carboxylate (CID 47079383) is [phenyl(pyridin-4-yl)methyl] 5-methyl-1-(3-methylphenyl)pyrazole-4-carboxylate.
What is the SMILES notation for [phenyl(pyridin-4-yl)methyl] 5-methyl-1-(3-methylphenyl)pyrazole-4-carboxylate?
The canonical SMILES for [phenyl(pyridin-4-yl)methyl] 5-methyl-1-(3-methylphenyl)pyrazole-4-carboxylate is Cc1cccc(-n2ncc(C(=O)OC(c3ccccc3)c3ccncc3)c2C)c1.
What is the InChIKey of [phenyl(pyridin-4-yl)methyl] 5-methyl-1-(3-methylphenyl)pyrazole-4-carboxylate?
The InChIKey is XFSICJFUQBJJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-17-7-6-10-21(15-17)27-18(2)22(16-26-27)24(28)29-23(19-8-4-3-5-9-19)20-11-13-25-14-12-20/h3-16,23H,1-2H3.
What are the key properties of [phenyl(pyridin-4-yl)methyl] 5-methyl-1-(3-methylphenyl)pyrazole-4-carboxylate?
[phenyl(pyridin-4-yl)methyl] 5-methyl-1-(3-methylphenyl)pyrazole-4-carboxylate has a molecular weight of 383.45 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl(pyridin-4-yl)methyl] 5-methyl-1-(3-methylphenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 47079383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).