4-(4-methylphenyl)-1H-pyrazole

C10H10N2 — CID 5212048

IUPAC4-(4-methylphenyl)-1H-pyrazole
SMILESCc1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C10H10N2/c1-8-2-4-9(5-3-8)10-6-11-12-7-10/h2-7H,1H3,(H,11,12)
InChIKeyGVPZWBOTTBCWNU-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.39
Rot. Bonds1

About 4-(4-methylphenyl)-1H-pyrazole

4-(4-methylphenyl)-1H-pyrazole (PubChem CID 5212048) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 4-(4-methylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(4-methylphenyl)-1H-pyrazole
PubChem CID5212048
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name4-(4-methylphenyl)-1H-pyrazole
SMILESCc1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C10H10N2/c1-8-2-4-9(5-3-8)10-6-11-12-7-10/h2-7H,1H3,(H,11,12)
InChIKeyGVPZWBOTTBCWNU-UHFFFAOYSA-N
XLogP2.39
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-1H-pyrazole?
The IUPAC name of 4-(4-methylphenyl)-1H-pyrazole (CID 5212048) is 4-(4-methylphenyl)-1H-pyrazole.
What is the SMILES notation for 4-(4-methylphenyl)-1H-pyrazole?
The canonical SMILES for 4-(4-methylphenyl)-1H-pyrazole is Cc1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-1H-pyrazole?
The InChIKey is GVPZWBOTTBCWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-8-2-4-9(5-3-8)10-6-11-12-7-10/h2-7H,1H3,(H,11,12).
What are the key properties of 4-(4-methylphenyl)-1H-pyrazole?
4-(4-methylphenyl)-1H-pyrazole has a molecular weight of 158.20 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-1H-pyrazole is sourced from PubChem (CID 5212048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).