1-methyl-3-(6-methylcyclohepta-2,4-dien-1-yl)pyrazole

C12H16N2 — CID 155084622

IUPAC1-methyl-3-(6-methylcyclohepta-2,4-dien-1-yl)pyrazole
SMILESCC1C=CC=CC(c2ccn(C)n2)C1
InChIInChI=1S/C12H16N2/c1-10-5-3-4-6-11(9-10)12-7-8-14(2)13-12/h3-8,10-11H,9H2,1-2H3
InChIKeyPUWZNZPIGXYGGJ-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.66
Rot. Bonds1

About 1-methyl-3-(6-methylcyclohepta-2,4-dien-1-yl)pyrazole

1-methyl-3-(6-methylcyclohepta-2,4-dien-1-yl)pyrazole (PubChem CID 155084622) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-methyl-3-(6-methylcyclohepta-2,4-dien-1-yl)pyrazole.

Molecular Properties

Compound Name1-methyl-3-(6-methylcyclohepta-2,4-dien-1-yl)pyrazole
PubChem CID155084622
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1-methyl-3-(6-methylcyclohepta-2,4-dien-1-yl)pyrazole
SMILESCC1C=CC=CC(c2ccn(C)n2)C1
InChIInChI=1S/C12H16N2/c1-10-5-3-4-6-11(9-10)12-7-8-14(2)13-12/h3-8,10-11H,9H2,1-2H3
InChIKeyPUWZNZPIGXYGGJ-UHFFFAOYSA-N
XLogP2.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(6-methylcyclohepta-2,4-dien-1-yl)pyrazole?
The IUPAC name of 1-methyl-3-(6-methylcyclohepta-2,4-dien-1-yl)pyrazole (CID 155084622) is 1-methyl-3-(6-methylcyclohepta-2,4-dien-1-yl)pyrazole.
What is the SMILES notation for 1-methyl-3-(6-methylcyclohepta-2,4-dien-1-yl)pyrazole?
The canonical SMILES for 1-methyl-3-(6-methylcyclohepta-2,4-dien-1-yl)pyrazole is CC1C=CC=CC(c2ccn(C)n2)C1.
What is the InChIKey of 1-methyl-3-(6-methylcyclohepta-2,4-dien-1-yl)pyrazole?
The InChIKey is PUWZNZPIGXYGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-10-5-3-4-6-11(9-10)12-7-8-14(2)13-12/h3-8,10-11H,9H2,1-2H3.
What are the key properties of 1-methyl-3-(6-methylcyclohepta-2,4-dien-1-yl)pyrazole?
1-methyl-3-(6-methylcyclohepta-2,4-dien-1-yl)pyrazole has a molecular weight of 188.27 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(6-methylcyclohepta-2,4-dien-1-yl)pyrazole is sourced from PubChem (CID 155084622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).