3-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)-1,5-dihydropyrazole

C11H16N2 — CID 123632362

IUPAC3-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)-1,5-dihydropyrazole
SMILESCC1=CCC(N2NCC=C2C)C=C1
InChIInChI=1S/C11H16N2/c1-9-3-5-11(6-4-9)13-10(2)7-8-12-13/h3-5,7,11-12H,6,8H2,1-2H3
InChIKeyBWNHQDMQRXPNTR-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.99
Rot. Bonds1

About 3-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)-1,5-dihydropyrazole

3-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)-1,5-dihydropyrazole (PubChem CID 123632362) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)-1,5-dihydropyrazole.

Molecular Properties

Compound Name3-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)-1,5-dihydropyrazole
PubChem CID123632362
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name3-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)-1,5-dihydropyrazole
SMILESCC1=CCC(N2NCC=C2C)C=C1
InChIInChI=1S/C11H16N2/c1-9-3-5-11(6-4-9)13-10(2)7-8-12-13/h3-5,7,11-12H,6,8H2,1-2H3
InChIKeyBWNHQDMQRXPNTR-UHFFFAOYSA-N
XLogP1.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Pyridazine, 1-ethyl-3,5,6-trimethyl-
CID 171384060
3-Cyclohexa-1,5-dien-1-yl-5-methyl-2-(2,2,2-trifluoroethyl)-1,5-dihydropyrazole;ethane
CID 143926110
3-Cyclohexa-1,5-dien-1-yl-5-methyl-2-(2,2,2-trifluoroethyl)-1,5-dihydropyrazole
CID 143926111
3,5-Dimethyl-1,3a-dihydropyrazolo[1,5-a]pyridine
CID 58047454
2,5-Dimethyl-1,3a-dihydropyrazolo[1,5-a]pyridine
CID 58047670
1-Propan-2-yl-2,3,6,7-tetrahydroindazole
CID 60067164
2-Cyclohexa-1,5-dien-1-yl-1,5-dihydropyrazole
CID 68070588
1-[(1R)-cyclohexa-2,4-dien-1-yl]-2-[(1Z,4Z,6Z)-cycloocta-1,4,6-trien-1-yl]-1-ethylhydrazine
CID 68215778
2-Propan-2-yl-1,2-dihydropyrazolo[1,5-a]pyridine
CID 69017494
1-Methyl-2,3,4,8-tetrahydro-1,2-benzodiazepine
CID 69986764
1-Ethyl-2,3,4,8-tetrahydro-1,2-benzodiazepine
CID 70003260
6-Ethyl-1,3a-dihydropyrazolo[1,5-a]pyridine
CID 89033267

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)-1,5-dihydropyrazole?
The IUPAC name of 3-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)-1,5-dihydropyrazole (CID 123632362) is 3-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)-1,5-dihydropyrazole.
What is the SMILES notation for 3-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)-1,5-dihydropyrazole?
The canonical SMILES for 3-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)-1,5-dihydropyrazole is CC1=CCC(N2NCC=C2C)C=C1.
What is the InChIKey of 3-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)-1,5-dihydropyrazole?
The InChIKey is BWNHQDMQRXPNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-9-3-5-11(6-4-9)13-10(2)7-8-12-13/h3-5,7,11-12H,6,8H2,1-2H3.
What are the key properties of 3-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)-1,5-dihydropyrazole?
3-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)-1,5-dihydropyrazole has a molecular weight of 176.26 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)-1,5-dihydropyrazole is sourced from PubChem (CID 123632362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).