1-(3-benzyl-4-methylphenyl)pyrazole

C17H16N2 — CID 58508496

IUPAC1-(3-benzyl-4-methylphenyl)pyrazole
SMILESCc1ccc(-n2cccn2)cc1Cc1ccccc1
InChIInChI=1S/C17H16N2/c1-14-8-9-17(19-11-5-10-18-19)13-16(14)12-15-6-3-2-4-7-15/h2-11,13H,12H2,1H3
InChIKeyMMZGPBXOIPDWSK-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.77
Rot. Bonds3

About 1-(3-benzyl-4-methylphenyl)pyrazole

1-(3-benzyl-4-methylphenyl)pyrazole (PubChem CID 58508496) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(3-benzyl-4-methylphenyl)pyrazole.

Molecular Properties

Compound Name1-(3-benzyl-4-methylphenyl)pyrazole
PubChem CID58508496
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name1-(3-benzyl-4-methylphenyl)pyrazole
SMILESCc1ccc(-n2cccn2)cc1Cc1ccccc1
InChIInChI=1S/C17H16N2/c1-14-8-9-17(19-11-5-10-18-19)13-16(14)12-15-6-3-2-4-7-15/h2-11,13H,12H2,1H3
InChIKeyMMZGPBXOIPDWSK-UHFFFAOYSA-N
XLogP3.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-(1H-pyrazol-1-yl)benzyl)-4-phenylpiperazine
CID 25333445
1-Benzyl-4-(3-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 21219157
1-Methyl-3-phenyl-1H-pyrazole
CID 137946
4-(1H-pyrazol-1-ylmethyl)aniline
CID 2764412
1-[2-(1H-pyrazol-1-yl)phenyl]methanamine
CID 7015036
Fezolamine
CID 54567
4-Ethyl-3-methyl-1,5-diphenyl-1H-pyrazole
CID 5327637
4-phenyl-1-((1-phenyl-1H-pyrazol-4-yl)methyl)-1,2,3,6-tetrahydropyridine
CID 11983282
1-((3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-phenylpiperazine
CID 44412182
4-Phenyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidine
CID 44419065
3-Methyl-5-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyridine
CID 137631806
3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6894324

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzyl-4-methylphenyl)pyrazole?
The IUPAC name of 1-(3-benzyl-4-methylphenyl)pyrazole (CID 58508496) is 1-(3-benzyl-4-methylphenyl)pyrazole.
What is the SMILES notation for 1-(3-benzyl-4-methylphenyl)pyrazole?
The canonical SMILES for 1-(3-benzyl-4-methylphenyl)pyrazole is Cc1ccc(-n2cccn2)cc1Cc1ccccc1.
What is the InChIKey of 1-(3-benzyl-4-methylphenyl)pyrazole?
The InChIKey is MMZGPBXOIPDWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-14-8-9-17(19-11-5-10-18-19)13-16(14)12-15-6-3-2-4-7-15/h2-11,13H,12H2,1H3.
What are the key properties of 1-(3-benzyl-4-methylphenyl)pyrazole?
1-(3-benzyl-4-methylphenyl)pyrazole has a molecular weight of 248.33 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzyl-4-methylphenyl)pyrazole is sourced from PubChem (CID 58508496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).