3-methyl-5-phenyl-3H-pyrazole

C10H10N2 — CID 50742197

IUPAC3-methyl-5-phenyl-3H-pyrazole
SMILESCC1C=C(c2ccccc2)N=N1
InChIInChI=1S/C10H10N2/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyPJEJONPCMMXOCT-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.88
Rot. Bonds1

About 3-methyl-5-phenyl-3H-pyrazole

3-methyl-5-phenyl-3H-pyrazole (PubChem CID 50742197) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-methyl-5-phenyl-3H-pyrazole.

Molecular Properties

Compound Name3-methyl-5-phenyl-3H-pyrazole
PubChem CID50742197
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name3-methyl-5-phenyl-3H-pyrazole
SMILESCC1C=C(c2ccccc2)N=N1
InChIInChI=1S/C10H10N2/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyPJEJONPCMMXOCT-UHFFFAOYSA-N
XLogP2.88
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-phenyl-3H-pyrazole?
The IUPAC name of 3-methyl-5-phenyl-3H-pyrazole (CID 50742197) is 3-methyl-5-phenyl-3H-pyrazole.
What is the SMILES notation for 3-methyl-5-phenyl-3H-pyrazole?
The canonical SMILES for 3-methyl-5-phenyl-3H-pyrazole is CC1C=C(c2ccccc2)N=N1.
What is the InChIKey of 3-methyl-5-phenyl-3H-pyrazole?
The InChIKey is PJEJONPCMMXOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 3-methyl-5-phenyl-3H-pyrazole?
3-methyl-5-phenyl-3H-pyrazole has a molecular weight of 158.20 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenyl-3H-pyrazole is sourced from PubChem (CID 50742197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).