methyl 1-(4-cyanophenyl)-5-(4-methylphenyl)pyrazole-3-carboxylate

C19H15N3O2 — CID 118142192

IUPACmethyl 1-(4-cyanophenyl)-5-(4-methylphenyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(C)cc2)n(-c2ccc(C#N)cc2)n1
InChIInChI=1S/C19H15N3O2/c1-13-3-7-15(8-4-13)18-11-17(19(23)24-2)21-22(18)16-9-5-14(12-20)6-10-16/h3-11H,1-2H3
InChIKeySROIKERFHJZQAU-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.51
Rot. Bonds3

About methyl 1-(4-cyanophenyl)-5-(4-methylphenyl)pyrazole-3-carboxylate

methyl 1-(4-cyanophenyl)-5-(4-methylphenyl)pyrazole-3-carboxylate (PubChem CID 118142192) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is methyl 1-(4-cyanophenyl)-5-(4-methylphenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-cyanophenyl)-5-(4-methylphenyl)pyrazole-3-carboxylate
PubChem CID118142192
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Namemethyl 1-(4-cyanophenyl)-5-(4-methylphenyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(C)cc2)n(-c2ccc(C#N)cc2)n1
InChIInChI=1S/C19H15N3O2/c1-13-3-7-15(8-4-13)18-11-17(19(23)24-2)21-22(18)16-9-5-14(12-20)6-10-16/h3-11H,1-2H3
InChIKeySROIKERFHJZQAU-UHFFFAOYSA-N
XLogP3.51
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,5-diphenyl-1H-pyrazole-3-carboxylic acid
CID 869152
1-(4-fluorophenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid
CID 1477271
Ethyl 3-phenyl-1-(phenylmethyl)-1H-pyrazole-5-carboxylate
CID 3403603
1-(3-Methylphenyl)-5-Phenyl-1h-Pyrazole-3-Carboxylic Acid
CID 869081
Ethyl 1-(2-cyanoethyl)-3-phenylpyrazole-5-carboxylate
CID 2389332
4-({1-[4-cyano-3-(trifluoromethyl)phenyl]-3,5-dimethyl-1H-pyrazol-4-yl}methyl)benzoic acid
CID 57926646
dimethyl 1,3-diphenyl-1H-pyrazole-4,5-dicarboxylate
CID 796636
Ethyl 1-methyl-3-phenyl-1H-pyrazole-5-carboxylate
CID 4166529
ethyl 4-benzoyl-1-(2-fluorophenyl)-5-phenyl-1H-pyrazole-3-carboxylate
CID 1234270
ethyl 4-benzoyl-1-(4-fluorophenyl)-5-phenyl-1H-pyrazole-3-carboxylate
CID 1234273
[2-(Methylamino)-2-oxoethyl] 1,3-diphenylpyrazole-5-carboxylate
CID 2427703
ethyl 4-benzoyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylate
CID 11948801

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-cyanophenyl)-5-(4-methylphenyl)pyrazole-3-carboxylate?
The IUPAC name of methyl 1-(4-cyanophenyl)-5-(4-methylphenyl)pyrazole-3-carboxylate (CID 118142192) is methyl 1-(4-cyanophenyl)-5-(4-methylphenyl)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1-(4-cyanophenyl)-5-(4-methylphenyl)pyrazole-3-carboxylate?
The canonical SMILES for methyl 1-(4-cyanophenyl)-5-(4-methylphenyl)pyrazole-3-carboxylate is COC(=O)c1cc(-c2ccc(C)cc2)n(-c2ccc(C#N)cc2)n1.
What is the InChIKey of methyl 1-(4-cyanophenyl)-5-(4-methylphenyl)pyrazole-3-carboxylate?
The InChIKey is SROIKERFHJZQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-13-3-7-15(8-4-13)18-11-17(19(23)24-2)21-22(18)16-9-5-14(12-20)6-10-16/h3-11H,1-2H3.
What are the key properties of methyl 1-(4-cyanophenyl)-5-(4-methylphenyl)pyrazole-3-carboxylate?
methyl 1-(4-cyanophenyl)-5-(4-methylphenyl)pyrazole-3-carboxylate has a molecular weight of 317.35 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-cyanophenyl)-5-(4-methylphenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 118142192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).