5-methyl-4-[(3-methylphenyl)methyl]-1H-pyrazole

C12H14N2 — CID 69037485

IUPAC5-methyl-4-[(3-methylphenyl)methyl]-1H-pyrazole
SMILESCc1cccc(Cc2cn[nH]c2C)c1
InChIInChI=1S/C12H14N2/c1-9-4-3-5-11(6-9)7-12-8-13-14-10(12)2/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyUCSQRNLNOLSFAM-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.62
Rot. Bonds2

About 5-methyl-4-[(3-methylphenyl)methyl]-1H-pyrazole

5-methyl-4-[(3-methylphenyl)methyl]-1H-pyrazole (PubChem CID 69037485) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 5-methyl-4-[(3-methylphenyl)methyl]-1H-pyrazole.

Molecular Properties

Compound Name5-methyl-4-[(3-methylphenyl)methyl]-1H-pyrazole
PubChem CID69037485
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name5-methyl-4-[(3-methylphenyl)methyl]-1H-pyrazole
SMILESCc1cccc(Cc2cn[nH]c2C)c1
InChIInChI=1S/C12H14N2/c1-9-4-3-5-11(6-9)7-12-8-13-14-10(12)2/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyUCSQRNLNOLSFAM-UHFFFAOYSA-N
XLogP2.62
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 55062757
5-methyl-4-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole
CID 175718043
4-[4-[(3-methylphenyl)methyl]phenyl]-1H-pyrazol-5-amine
CID 22408196
3-(3-methylphenyl)-5-[(3-methylphenyl)methyl]-1H-pyrazole
CID 71568660
1,2,4-trifluoro-5-[(3-methylphenyl)methyl]benzene
CID 91017435
chloro-tris[2-[(3-methylphenyl)methyl]phenyl]silane
CID 88962487
1-[5-[(3-methylphenyl)methyl]-1H-pyrazol-4-yl]piperazine
CID 117210074
5-[2-(3-methylphenyl)ethyl]-1H-pyrazole-4-carbaldehyde
CID 112709308
4-[(3-methylphenyl)methyl]pyridine-2,3,6-triamine
CID 140918296
5-[(3-methylphenyl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 90351403
4-N-methyl-4-N-[(3-methylphenyl)methyl]-1H-pyrazole-4,5-diamine
CID 82236914
3-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58086816

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(3-methylphenyl)methyl]-1H-pyrazole?
The IUPAC name of 5-methyl-4-[(3-methylphenyl)methyl]-1H-pyrazole (CID 69037485) is 5-methyl-4-[(3-methylphenyl)methyl]-1H-pyrazole.
What is the SMILES notation for 5-methyl-4-[(3-methylphenyl)methyl]-1H-pyrazole?
The canonical SMILES for 5-methyl-4-[(3-methylphenyl)methyl]-1H-pyrazole is Cc1cccc(Cc2cn[nH]c2C)c1.
What is the InChIKey of 5-methyl-4-[(3-methylphenyl)methyl]-1H-pyrazole?
The InChIKey is UCSQRNLNOLSFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-9-4-3-5-11(6-9)7-12-8-13-14-10(12)2/h3-6,8H,7H2,1-2H3,(H,13,14).
What are the key properties of 5-methyl-4-[(3-methylphenyl)methyl]-1H-pyrazole?
5-methyl-4-[(3-methylphenyl)methyl]-1H-pyrazole has a molecular weight of 186.26 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(3-methylphenyl)methyl]-1H-pyrazole is sourced from PubChem (CID 69037485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).