5-(3,3-dimethylcyclohexyl)-1-methylpyrazole

C12H20N2 — CID 134224541

IUPAC5-(3,3-dimethylcyclohexyl)-1-methylpyrazole
SMILESCn1nccc1C1CCCC(C)(C)C1
InChIInChI=1S/C12H20N2/c1-12(2)7-4-5-10(9-12)11-6-8-13-14(11)3/h6,8,10H,4-5,7,9H2,1-3H3
InChIKeyCPTFOYYWQVOGHD-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.10
Rot. Bonds1

About 5-(3,3-dimethylcyclohexyl)-1-methylpyrazole

5-(3,3-dimethylcyclohexyl)-1-methylpyrazole (PubChem CID 134224541) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 5-(3,3-dimethylcyclohexyl)-1-methylpyrazole.

Molecular Properties

Compound Name5-(3,3-dimethylcyclohexyl)-1-methylpyrazole
PubChem CID134224541
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name5-(3,3-dimethylcyclohexyl)-1-methylpyrazole
SMILESCn1nccc1C1CCCC(C)(C)C1
InChIInChI=1S/C12H20N2/c1-12(2)7-4-5-10(9-12)11-6-8-13-14(11)3/h6,8,10H,4-5,7,9H2,1-3H3
InChIKeyCPTFOYYWQVOGHD-UHFFFAOYSA-N
XLogP3.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-3,5-di-t-butylpyrazole
CID 145635
1-methyl-3-(propan-2-yl)-1H-pyrazole
CID 12251378
4-((1-methyl-1H-pyrazol-5-yl)methyl)piperidine
CID 63961604
1-Methyl-3-t-butylpyrazole
CID 145633
3-cyclopropyl-1-methyl-1H-pyrazole
CID 23300060
3-cyclopropyl-1-ethyl-1H-pyrazole
CID 25247549
5-cyclopropyl-1-methyl-1H-pyrazole
CID 25247754
3-(1-methyl-1H-pyrazol-5-yl)piperidine
CID 50989017
4-(1-methyl-1H-pyrazol-5-yl)piperidine
CID 50989018
3-(1-methyl-1H-pyrazol-3-yl)piperidine
CID 82414416
4-(1-methyl-1H-pyrazol-3-yl)piperidine
CID 82414451
4-(2-Methylpyrazol-3-yl)piperidine;dihydrochloride
CID 92130993

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylcyclohexyl)-1-methylpyrazole?
The IUPAC name of 5-(3,3-dimethylcyclohexyl)-1-methylpyrazole (CID 134224541) is 5-(3,3-dimethylcyclohexyl)-1-methylpyrazole.
What is the SMILES notation for 5-(3,3-dimethylcyclohexyl)-1-methylpyrazole?
The canonical SMILES for 5-(3,3-dimethylcyclohexyl)-1-methylpyrazole is Cn1nccc1C1CCCC(C)(C)C1.
What is the InChIKey of 5-(3,3-dimethylcyclohexyl)-1-methylpyrazole?
The InChIKey is CPTFOYYWQVOGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-12(2)7-4-5-10(9-12)11-6-8-13-14(11)3/h6,8,10H,4-5,7,9H2,1-3H3.
What are the key properties of 5-(3,3-dimethylcyclohexyl)-1-methylpyrazole?
5-(3,3-dimethylcyclohexyl)-1-methylpyrazole has a molecular weight of 192.31 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylcyclohexyl)-1-methylpyrazole is sourced from PubChem (CID 134224541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).