3-methyl-1-phenyl-5-(3-propan-2-ylphenyl)pyrazole

C19H20N2 — CID 139397684

IUPAC3-methyl-1-phenyl-5-(3-propan-2-ylphenyl)pyrazole
SMILESCc1cc(-c2cccc(C(C)C)c2)n(-c2ccccc2)n1
InChIInChI=1S/C19H20N2/c1-14(2)16-8-7-9-17(13-16)19-12-15(3)20-21(19)18-10-5-4-6-11-18/h4-14H,1-3H3
InChIKeyTUVVYVGNDFHDPA-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.97
Rot. Bonds3

About 3-methyl-1-phenyl-5-(3-propan-2-ylphenyl)pyrazole

3-methyl-1-phenyl-5-(3-propan-2-ylphenyl)pyrazole (PubChem CID 139397684) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-methyl-1-phenyl-5-(3-propan-2-ylphenyl)pyrazole.

Molecular Properties

Compound Name3-methyl-1-phenyl-5-(3-propan-2-ylphenyl)pyrazole
PubChem CID139397684
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name3-methyl-1-phenyl-5-(3-propan-2-ylphenyl)pyrazole
SMILESCc1cc(-c2cccc(C(C)C)c2)n(-c2ccccc2)n1
InChIInChI=1S/C19H20N2/c1-14(2)16-8-7-9-17(13-16)19-12-15(3)20-21(19)18-10-5-4-6-11-18/h4-14H,1-3H3
InChIKeyTUVVYVGNDFHDPA-UHFFFAOYSA-N
XLogP4.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-5-(3-propan-2-ylphenyl)pyrazole?
The IUPAC name of 3-methyl-1-phenyl-5-(3-propan-2-ylphenyl)pyrazole (CID 139397684) is 3-methyl-1-phenyl-5-(3-propan-2-ylphenyl)pyrazole.
What is the SMILES notation for 3-methyl-1-phenyl-5-(3-propan-2-ylphenyl)pyrazole?
The canonical SMILES for 3-methyl-1-phenyl-5-(3-propan-2-ylphenyl)pyrazole is Cc1cc(-c2cccc(C(C)C)c2)n(-c2ccccc2)n1.
What is the InChIKey of 3-methyl-1-phenyl-5-(3-propan-2-ylphenyl)pyrazole?
The InChIKey is TUVVYVGNDFHDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-14(2)16-8-7-9-17(13-16)19-12-15(3)20-21(19)18-10-5-4-6-11-18/h4-14H,1-3H3.
What are the key properties of 3-methyl-1-phenyl-5-(3-propan-2-ylphenyl)pyrazole?
3-methyl-1-phenyl-5-(3-propan-2-ylphenyl)pyrazole has a molecular weight of 276.38 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-5-(3-propan-2-ylphenyl)pyrazole is sourced from PubChem (CID 139397684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).