ethane;5-methyl-3-phenyl-1H-pyrazole

C12H16N2 — CID 144662756

IUPACethane;5-methyl-3-phenyl-1H-pyrazole
SMILESCC.Cc1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C10H10N2.C2H6/c1-8-7-10(12-11-8)9-5-3-2-4-6-9;1-2/h2-7H,1H3,(H,11,12);1-2H3
InChIKeyMDDGKLRDTWKXMQ-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.41
Rot. Bonds1

About ethane;5-methyl-3-phenyl-1H-pyrazole

ethane;5-methyl-3-phenyl-1H-pyrazole (PubChem CID 144662756) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is ethane;5-methyl-3-phenyl-1H-pyrazole.

Molecular Properties

Compound Nameethane;5-methyl-3-phenyl-1H-pyrazole
PubChem CID144662756
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Nameethane;5-methyl-3-phenyl-1H-pyrazole
SMILESCC.Cc1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C10H10N2.C2H6/c1-8-7-10(12-11-8)9-5-3-2-4-6-9;1-2/h2-7H,1H3,(H,11,12);1-2H3
InChIKeyMDDGKLRDTWKXMQ-UHFFFAOYSA-N
XLogP3.41
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-3-phenyl-1H-pyrazole?
The IUPAC name of ethane;5-methyl-3-phenyl-1H-pyrazole (CID 144662756) is ethane;5-methyl-3-phenyl-1H-pyrazole.
What is the SMILES notation for ethane;5-methyl-3-phenyl-1H-pyrazole?
The canonical SMILES for ethane;5-methyl-3-phenyl-1H-pyrazole is CC.Cc1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of ethane;5-methyl-3-phenyl-1H-pyrazole?
The InChIKey is MDDGKLRDTWKXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2.C2H6/c1-8-7-10(12-11-8)9-5-3-2-4-6-9;1-2/h2-7H,1H3,(H,11,12);1-2H3.
What are the key properties of ethane;5-methyl-3-phenyl-1H-pyrazole?
ethane;5-methyl-3-phenyl-1H-pyrazole has a molecular weight of 188.27 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-3-phenyl-1H-pyrazole is sourced from PubChem (CID 144662756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).