5-methyl-1,4-diphenyl-3-propan-2-yloxypyrazole

C19H20N2O — CID 68622638

IUPAC5-methyl-1,4-diphenyl-3-propan-2-yloxypyrazole
SMILESCc1c(-c2ccccc2)c(OC(C)C)nn1-c1ccccc1
InChIInChI=1S/C19H20N2O/c1-14(2)22-19-18(16-10-6-4-7-11-16)15(3)21(20-19)17-12-8-5-9-13-17/h4-14H,1-3H3
InChIKeyYAVAYVOPVIAMFF-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.63
Rot. Bonds4

About 5-methyl-1,4-diphenyl-3-propan-2-yloxypyrazole

5-methyl-1,4-diphenyl-3-propan-2-yloxypyrazole (PubChem CID 68622638) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-methyl-1,4-diphenyl-3-propan-2-yloxypyrazole.

Molecular Properties

Compound Name5-methyl-1,4-diphenyl-3-propan-2-yloxypyrazole
PubChem CID68622638
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name5-methyl-1,4-diphenyl-3-propan-2-yloxypyrazole
SMILESCc1c(-c2ccccc2)c(OC(C)C)nn1-c1ccccc1
InChIInChI=1S/C19H20N2O/c1-14(2)22-19-18(16-10-6-4-7-11-16)15(3)21(20-19)17-12-8-5-9-13-17/h4-14H,1-3H3
InChIKeyYAVAYVOPVIAMFF-UHFFFAOYSA-N
XLogP4.63
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1,3,4-triphenylpyrazole
CID 1202580
5-methyl-3-nitro-1,4-diphenylpyrazole
CID 145048719
[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenyl]methanamine
CID 61033660
4,5-dimethyl-1,3-diphenylpyrazole
CID 13258584
5-methyl-4-phenyl-1-(4-propan-2-yloxyphenyl)triazole
CID 13162146
4-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzonitrile
CID 102168714
(3,5-dimethyl-1-phenylpyrazol-4-yl)-trimethylsilane
CID 130535844
1-phenyl-5-propan-2-yloxytetrazole
CID 1263322
2,5-bis(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3,4-oxadiazole
CID 2740693
3-methylsulfanyl-1,4,5-triphenylpyrazole
CID 11551885
propan-2-yl 2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 17288856
5-methyl-1,3-diphenylpyrazole-4-carboxylic acid
CID 673680

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,4-diphenyl-3-propan-2-yloxypyrazole?
The IUPAC name of 5-methyl-1,4-diphenyl-3-propan-2-yloxypyrazole (CID 68622638) is 5-methyl-1,4-diphenyl-3-propan-2-yloxypyrazole.
What is the SMILES notation for 5-methyl-1,4-diphenyl-3-propan-2-yloxypyrazole?
The canonical SMILES for 5-methyl-1,4-diphenyl-3-propan-2-yloxypyrazole is Cc1c(-c2ccccc2)c(OC(C)C)nn1-c1ccccc1.
What is the InChIKey of 5-methyl-1,4-diphenyl-3-propan-2-yloxypyrazole?
The InChIKey is YAVAYVOPVIAMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-14(2)22-19-18(16-10-6-4-7-11-16)15(3)21(20-19)17-12-8-5-9-13-17/h4-14H,1-3H3.
What are the key properties of 5-methyl-1,4-diphenyl-3-propan-2-yloxypyrazole?
5-methyl-1,4-diphenyl-3-propan-2-yloxypyrazole has a molecular weight of 292.38 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,4-diphenyl-3-propan-2-yloxypyrazole is sourced from PubChem (CID 68622638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).