phenyl 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate

C23H18N2O3 — CID 1341616

IUPACphenyl 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Oc2ccccc2)cc1
InChIInChI=1S/C23H18N2O3/c1-27-19-14-12-17(13-15-19)22-21(23(26)28-20-10-6-3-7-11-20)16-25(24-22)18-8-4-2-5-9-18/h2-16H,1H3
InChIKeyFSSGRJBCLORENC-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.77
Rot. Bonds5

About phenyl 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate

phenyl 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate (PubChem CID 1341616) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is phenyl 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Namephenyl 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
PubChem CID1341616
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Namephenyl 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Oc2ccccc2)cc1
InChIInChI=1S/C23H18N2O3/c1-27-19-14-12-17(13-15-19)22-21(23(26)28-20-10-6-3-7-11-20)16-25(24-22)18-8-4-2-5-9-18/h2-16H,1H3
InChIKeyFSSGRJBCLORENC-UHFFFAOYSA-N
XLogP4.77
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2H-1-Benzopyran-2-one, 7-(3-methyl-1H-pyrazol-1-yl)-3-phenyl-
CID 80122
3-(3-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 2377173
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 792340
3-methyl-1-phenyl-1H,4H-chromeno[4,3-c]pyrazol-4-one
CID 2793709
3-(2,3-Dihydro-1,4-benzodioxin-6-YL)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 977138
3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 882240
3-methyl-2-phenylchromeno[4,3-c]pyrazol-4(2H)-one
CID 15569045
3-(4-methoxyphenyl)-N,N-dimethyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 752166
3-(3-Amino-4-methoxyphenyl)-1-phenylpyrazole-4-carboxylic acid
CID 1087054
N-benzyl-1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 2529498
1-benzyl-3-(3-methoxyphenyl)-1H-pyrazole-4-carboxylic acid
CID 2608796
ST51001558
CID 342056

Frequently Asked Questions

What is the IUPAC name of phenyl 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate?
The IUPAC name of phenyl 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate (CID 1341616) is phenyl 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for phenyl 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for phenyl 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate is COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Oc2ccccc2)cc1.
What is the InChIKey of phenyl 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate?
The InChIKey is FSSGRJBCLORENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-27-19-14-12-17(13-15-19)22-21(23(26)28-20-10-6-3-7-11-20)16-25(24-22)18-8-4-2-5-9-18/h2-16H,1H3.
What are the key properties of phenyl 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate?
phenyl 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate has a molecular weight of 370.41 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 1341616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).