(4-phenylphenyl)methyl 4-methylpyrazole-1-carboxylate

C18H16N2O2 — CID 118709030

IUPAC(4-phenylphenyl)methyl 4-methylpyrazole-1-carboxylate
SMILESCc1cnn(C(=O)OCc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C18H16N2O2/c1-14-11-19-20(12-14)18(21)22-13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-12H,13H2,1H3
InChIKeyBJFILUQEQFIPIC-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.04
Rot. Bonds3

About (4-phenylphenyl)methyl 4-methylpyrazole-1-carboxylate

(4-phenylphenyl)methyl 4-methylpyrazole-1-carboxylate (PubChem CID 118709030) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is (4-phenylphenyl)methyl 4-methylpyrazole-1-carboxylate.

Molecular Properties

Compound Name(4-phenylphenyl)methyl 4-methylpyrazole-1-carboxylate
PubChem CID118709030
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name(4-phenylphenyl)methyl 4-methylpyrazole-1-carboxylate
SMILESCc1cnn(C(=O)OCc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C18H16N2O2/c1-14-11-19-20(12-14)18(21)22-13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-12H,13H2,1H3
InChIKeyBJFILUQEQFIPIC-UHFFFAOYSA-N
XLogP4.04
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)methyl 4-methylpyrazole-1-carboxylate?
The IUPAC name of (4-phenylphenyl)methyl 4-methylpyrazole-1-carboxylate (CID 118709030) is (4-phenylphenyl)methyl 4-methylpyrazole-1-carboxylate.
What is the SMILES notation for (4-phenylphenyl)methyl 4-methylpyrazole-1-carboxylate?
The canonical SMILES for (4-phenylphenyl)methyl 4-methylpyrazole-1-carboxylate is Cc1cnn(C(=O)OCc2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of (4-phenylphenyl)methyl 4-methylpyrazole-1-carboxylate?
The InChIKey is BJFILUQEQFIPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-14-11-19-20(12-14)18(21)22-13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-12H,13H2,1H3.
What are the key properties of (4-phenylphenyl)methyl 4-methylpyrazole-1-carboxylate?
(4-phenylphenyl)methyl 4-methylpyrazole-1-carboxylate has a molecular weight of 292.34 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)methyl 4-methylpyrazole-1-carboxylate is sourced from PubChem (CID 118709030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).