5-N-(2,2-dimethylcyclohexyl)-1,3-dimethylpyrazole-4,5-diamine

C13H24N4 — CID 79861729

IUPAC5-N-(2,2-dimethylcyclohexyl)-1,3-dimethylpyrazole-4,5-diamine
SMILESCc1nn(C)c(NC2CCCCC2(C)C)c1N
InChIInChI=1S/C13H24N4/c1-9-11(14)12(17(4)16-9)15-10-7-5-6-8-13(10,2)3/h10,15H,5-8,14H2,1-4H3
InChIKeyZHVWGONLKGTLHC-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.69
Rot. Bonds2

About 5-N-(2,2-dimethylcyclohexyl)-1,3-dimethylpyrazole-4,5-diamine

5-N-(2,2-dimethylcyclohexyl)-1,3-dimethylpyrazole-4,5-diamine (PubChem CID 79861729) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 5-N-(2,2-dimethylcyclohexyl)-1,3-dimethylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(2,2-dimethylcyclohexyl)-1,3-dimethylpyrazole-4,5-diamine
PubChem CID79861729
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name5-N-(2,2-dimethylcyclohexyl)-1,3-dimethylpyrazole-4,5-diamine
SMILESCc1nn(C)c(NC2CCCCC2(C)C)c1N
InChIInChI=1S/C13H24N4/c1-9-11(14)12(17(4)16-9)15-10-7-5-6-8-13(10,2)3/h10,15H,5-8,14H2,1-4H3
InChIKeyZHVWGONLKGTLHC-UHFFFAOYSA-N
XLogP2.69
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,2-dimethylcyclohexyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
CID 79872080
5-N-cycloheptyl-1,3-dimethylpyrazole-4,5-diamine
CID 43554231
1,3-dimethyl-5-N-(2-methylcyclohexyl)pyrazole-4,5-diamine
CID 43554062
N-(2,2-dimethylcyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 79828815
1,3-dimethyl-5-N-(1-methylazetidin-3-yl)pyrazole-4,5-diamine
CID 131067725
N-(2,2-dimethylcyclohexyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 79870218
N-(2,2-dimethylcyclopentyl)-1,5-dimethylpyrazol-3-amine
CID 115921991
5-bromo-N-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-amine
CID 79873409
2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83209373
3-N-(2,2-dimethylcyclohexyl)pyrazine-2,3-diamine
CID 103753764
6-chloro-4-N-(2,2-dimethylcyclohexyl)pyrimidine-4,5-diamine
CID 79862142
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 113352478

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,2-dimethylcyclohexyl)-1,3-dimethylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(2,2-dimethylcyclohexyl)-1,3-dimethylpyrazole-4,5-diamine (CID 79861729) is 5-N-(2,2-dimethylcyclohexyl)-1,3-dimethylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(2,2-dimethylcyclohexyl)-1,3-dimethylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(2,2-dimethylcyclohexyl)-1,3-dimethylpyrazole-4,5-diamine is Cc1nn(C)c(NC2CCCCC2(C)C)c1N.
What is the InChIKey of 5-N-(2,2-dimethylcyclohexyl)-1,3-dimethylpyrazole-4,5-diamine?
The InChIKey is ZHVWGONLKGTLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-9-11(14)12(17(4)16-9)15-10-7-5-6-8-13(10,2)3/h10,15H,5-8,14H2,1-4H3.
What are the key properties of 5-N-(2,2-dimethylcyclohexyl)-1,3-dimethylpyrazole-4,5-diamine?
5-N-(2,2-dimethylcyclohexyl)-1,3-dimethylpyrazole-4,5-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,2-dimethylcyclohexyl)-1,3-dimethylpyrazole-4,5-diamine is sourced from PubChem (CID 79861729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).