1,5,5,7-tetramethylcyclohepta[c]pyrazole

C12H16N2 — CID 142411220

IUPAC1,5,5,7-tetramethylcyclohepta[c]pyrazole
SMILESCC1=CC(C)(C)C=c2cnn(C)c2=C1
InChIInChI=1S/C12H16N2/c1-9-5-11-10(8-13-14(11)4)7-12(2,3)6-9/h5-8H,1-4H3
InChIKeyCBAPHXFFHKXXIU-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.97
Rot. Bonds

About 1,5,5,7-tetramethylcyclohepta[c]pyrazole

1,5,5,7-tetramethylcyclohepta[c]pyrazole (PubChem CID 142411220) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1,5,5,7-tetramethylcyclohepta[c]pyrazole.

Molecular Properties

Compound Name1,5,5,7-tetramethylcyclohepta[c]pyrazole
PubChem CID142411220
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1,5,5,7-tetramethylcyclohepta[c]pyrazole
SMILESCC1=CC(C)(C)C=c2cnn(C)c2=C1
InChIInChI=1S/C12H16N2/c1-9-5-11-10(8-13-14(11)4)7-12(2,3)6-9/h5-8H,1-4H3
InChIKeyCBAPHXFFHKXXIU-UHFFFAOYSA-N
XLogP0.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,5,5,7-tetramethylcyclohepta[c]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4E,5E)-1-(2,2-dimethylpropyl)-5-(3-fluoropropylidene)-4-(2-methylprop-2-enylidene)pyrazole
CID 146550395
1,4,4-Trimethyl-7-methylidenediazepine
CID 91299695
N,N-diethyl-2-(5-ethylidene-4-methylidenepyrazol-1-yl)ethanamine
CID 123158636
N-(butylideneamino)-N,4,7-trimethylnona-2,4,6-trien-3-amine
CID 123469461
(4E,5E)-1-butan-2-yl-5-[(Z)-but-2-enylidene]-4-ethylidenepyrazole
CID 129157344
(4E,5E)-4-ethylidene-5-hexylidene-1-methylpyrazole
CID 129238614
(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1-methylpyrazole
CID 132064861
(4E,5E)-1-methyl-4,5-bis(prop-2-enylidene)pyrazole
CID 134342605
(4E,5E)-1-propan-2-yl-4,5-bis(prop-2-enylidene)pyrazole
CID 134342636
1-Methyl-5,6-dihydroindazole
CID 137468550
(3aE,9E)-1,5,5,8,8-pentamethyl-6,7-dihydrocycloocta[c]pyrazole
CID 141911607
(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylpyrazole
CID 142300294

Frequently Asked Questions

What is the IUPAC name of 1,5,5,7-tetramethylcyclohepta[c]pyrazole?
The IUPAC name of 1,5,5,7-tetramethylcyclohepta[c]pyrazole (CID 142411220) is 1,5,5,7-tetramethylcyclohepta[c]pyrazole.
What is the SMILES notation for 1,5,5,7-tetramethylcyclohepta[c]pyrazole?
The canonical SMILES for 1,5,5,7-tetramethylcyclohepta[c]pyrazole is CC1=CC(C)(C)C=c2cnn(C)c2=C1.
What is the InChIKey of 1,5,5,7-tetramethylcyclohepta[c]pyrazole?
The InChIKey is CBAPHXFFHKXXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-9-5-11-10(8-13-14(11)4)7-12(2,3)6-9/h5-8H,1-4H3.
What are the key properties of 1,5,5,7-tetramethylcyclohepta[c]pyrazole?
1,5,5,7-tetramethylcyclohepta[c]pyrazole has a molecular weight of 188.27 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5,7-tetramethylcyclohepta[c]pyrazole is sourced from PubChem (CID 142411220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).