1,3-dimethyl-5-N-(2-methylcyclohexyl)pyrazole-4,5-diamine

C12H22N4 — CID 43554062

IUPAC1,3-dimethyl-5-N-(2-methylcyclohexyl)pyrazole-4,5-diamine
SMILESCc1nn(C)c(NC2CCCCC2C)c1N
InChIInChI=1S/C12H22N4/c1-8-6-4-5-7-10(8)14-12-11(13)9(2)15-16(12)3/h8,10,14H,4-7,13H2,1-3H3
InChIKeyYVEIZPDZVZZMSV-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.30
Rot. Bonds2

About 1,3-dimethyl-5-N-(2-methylcyclohexyl)pyrazole-4,5-diamine

1,3-dimethyl-5-N-(2-methylcyclohexyl)pyrazole-4,5-diamine (PubChem CID 43554062) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1,3-dimethyl-5-N-(2-methylcyclohexyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1,3-dimethyl-5-N-(2-methylcyclohexyl)pyrazole-4,5-diamine
PubChem CID43554062
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1,3-dimethyl-5-N-(2-methylcyclohexyl)pyrazole-4,5-diamine
SMILESCc1nn(C)c(NC2CCCCC2C)c1N
InChIInChI=1S/C12H22N4/c1-8-6-4-5-7-10(8)14-12-11(13)9(2)15-16(12)3/h8,10,14H,4-7,13H2,1-3H3
InChIKeyYVEIZPDZVZZMSV-UHFFFAOYSA-N
XLogP2.30
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-N-(2-methylcyclohexyl)-1-propylpyrazole-4,5-diamine
CID 66028566
5-N-cycloheptyl-1,3-dimethylpyrazole-4,5-diamine
CID 43554231
5-N-(2,2-dimethylcyclohexyl)-1,3-dimethylpyrazole-4,5-diamine
CID 79861729
1,3-dimethyl-5-N-(1-methylazetidin-3-yl)pyrazole-4,5-diamine
CID 131067725
5-N-(2,3-dimethylcyclohexyl)-3-ethyl-1-methylpyrazole-4,5-diamine
CID 66016356
1,3-dimethyl-N-(2-methylcyclopentyl)pyrazolo[5,4-b]pyridin-5-amine
CID 65044237
2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]cyclohexan-1-ol
CID 66017455
3-methyl-N-(2-methylcyclohexyl)triazol-4-amine
CID 130486151
3-ethyl-1-methyl-5-N-(2-methylsulfanylcyclohexyl)pyrazole-4,5-diamine
CID 114122376
5-N-(2,3-dimethylcyclopentyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 66029219
trans-(1R,2R)-2-N-(1,3-dimethyl-4-nitropyrazol-5-yl)cyclohexane-1,2-diamine
CID 93453939
1-[[(4-amino-1,3-dimethylpyrazol-5-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 65116892

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-N-(2-methylcyclohexyl)pyrazole-4,5-diamine?
The IUPAC name of 1,3-dimethyl-5-N-(2-methylcyclohexyl)pyrazole-4,5-diamine (CID 43554062) is 1,3-dimethyl-5-N-(2-methylcyclohexyl)pyrazole-4,5-diamine.
What is the SMILES notation for 1,3-dimethyl-5-N-(2-methylcyclohexyl)pyrazole-4,5-diamine?
The canonical SMILES for 1,3-dimethyl-5-N-(2-methylcyclohexyl)pyrazole-4,5-diamine is Cc1nn(C)c(NC2CCCCC2C)c1N.
What is the InChIKey of 1,3-dimethyl-5-N-(2-methylcyclohexyl)pyrazole-4,5-diamine?
The InChIKey is YVEIZPDZVZZMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-8-6-4-5-7-10(8)14-12-11(13)9(2)15-16(12)3/h8,10,14H,4-7,13H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-N-(2-methylcyclohexyl)pyrazole-4,5-diamine?
1,3-dimethyl-5-N-(2-methylcyclohexyl)pyrazole-4,5-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-N-(2-methylcyclohexyl)pyrazole-4,5-diamine is sourced from PubChem (CID 43554062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).