4-methyl-3,5-diphenyl-1H-pyrazole

C16H14N2 — CID 5122258

IUPAC4-methyl-3,5-diphenyl-1H-pyrazole
SMILESCc1c(-c2ccccc2)n[nH]c1-c1ccccc1
InChIInChI=1S/C16H14N2/c1-12-15(13-8-4-2-5-9-13)17-18-16(12)14-10-6-3-7-11-14/h2-11H,1H3,(H,17,18)
InChIKeyGODJIHYACPNRIJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP4.05
Rot. Bonds2

About 4-methyl-3,5-diphenyl-1H-pyrazole

4-methyl-3,5-diphenyl-1H-pyrazole (PubChem CID 5122258) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-methyl-3,5-diphenyl-1H-pyrazole.

Molecular Properties

Compound Name4-methyl-3,5-diphenyl-1H-pyrazole
PubChem CID5122258
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name4-methyl-3,5-diphenyl-1H-pyrazole
SMILESCc1c(-c2ccccc2)n[nH]c1-c1ccccc1
InChIInChI=1S/C16H14N2/c1-12-15(13-8-4-2-5-9-13)17-18-16(12)14-10-6-3-7-11-14/h2-11H,1H3,(H,17,18)
InChIKeyGODJIHYACPNRIJ-UHFFFAOYSA-N
XLogP4.05
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,5-diphenyl-1H-pyrazole?
The IUPAC name of 4-methyl-3,5-diphenyl-1H-pyrazole (CID 5122258) is 4-methyl-3,5-diphenyl-1H-pyrazole.
What is the SMILES notation for 4-methyl-3,5-diphenyl-1H-pyrazole?
The canonical SMILES for 4-methyl-3,5-diphenyl-1H-pyrazole is Cc1c(-c2ccccc2)n[nH]c1-c1ccccc1.
What is the InChIKey of 4-methyl-3,5-diphenyl-1H-pyrazole?
The InChIKey is GODJIHYACPNRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-12-15(13-8-4-2-5-9-13)17-18-16(12)14-10-6-3-7-11-14/h2-11H,1H3,(H,17,18).
What are the key properties of 4-methyl-3,5-diphenyl-1H-pyrazole?
4-methyl-3,5-diphenyl-1H-pyrazole has a molecular weight of 234.30 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,5-diphenyl-1H-pyrazole is sourced from PubChem (CID 5122258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).