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

C14H26N4 — CID 66016356

IUPAC5-N-(2,3-dimethylcyclohexyl)-3-ethyl-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(NC2CCCC(C)C2C)c1N
InChIInChI=1S/C14H26N4/c1-5-11-13(15)14(18(4)17-11)16-12-8-6-7-9(2)10(12)3/h9-10,12,16H,5-8,15H2,1-4H3
InChIKeyYFCLTDWYQUEAKA-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.80
Rot. Bonds3

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

5-N-(2,3-dimethylcyclohexyl)-3-ethyl-1-methylpyrazole-4,5-diamine (PubChem CID 66016356) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 5-N-(2,3-dimethylcyclohexyl)-3-ethyl-1-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(2,3-dimethylcyclohexyl)-3-ethyl-1-methylpyrazole-4,5-diamine
PubChem CID66016356
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name5-N-(2,3-dimethylcyclohexyl)-3-ethyl-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(NC2CCCC(C)C2C)c1N
InChIInChI=1S/C14H26N4/c1-5-11-13(15)14(18(4)17-11)16-12-8-6-7-9(2)10(12)3/h9-10,12,16H,5-8,15H2,1-4H3
InChIKeyYFCLTDWYQUEAKA-UHFFFAOYSA-N
XLogP2.80
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-methyl-5-N-(2-methylsulfanylcyclohexyl)pyrazole-4,5-diamine
CID 114122376
5-N-(4,4-dimethylcyclohexyl)-3-ethyl-1-methylpyrazole-4,5-diamine
CID 66014444
3-ethyl-1-methyl-5-N-(1-methylpiperidin-3-yl)pyrazole-4,5-diamine
CID 66014594
1,3-dimethyl-5-N-(2-methylcyclohexyl)pyrazole-4,5-diamine
CID 43554062
3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]piperidin-2-one
CID 66015628
3-ethyl-1-methyl-5-N-(4-methylpiperazin-1-yl)pyrazole-4,5-diamine
CID 83003565
5-N-(cyclohexylmethyl)-3-ethyl-1-methylpyrazole-4,5-diamine
CID 66015985
1-methyl-5-N-(3-methylcyclohexyl)-3-propylpyrazole-4,5-diamine
CID 66019813
5-N-cycloheptyl-1-methyl-3-propylpyrazole-4,5-diamine
CID 66017100
5-N-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-1-methylpyrazole-4,5-diamine
CID 66015832
5-N-(2,3-dimethylcyclopentyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 66029219
5-(3,4-dimethylpyrrolidin-1-yl)-3-ethyl-1-methylpyrazol-4-amine
CID 79188895

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,3-dimethylcyclohexyl)-3-ethyl-1-methylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(2,3-dimethylcyclohexyl)-3-ethyl-1-methylpyrazole-4,5-diamine (CID 66016356) is 5-N-(2,3-dimethylcyclohexyl)-3-ethyl-1-methylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(2,3-dimethylcyclohexyl)-3-ethyl-1-methylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(2,3-dimethylcyclohexyl)-3-ethyl-1-methylpyrazole-4,5-diamine is CCc1nn(C)c(NC2CCCC(C)C2C)c1N.
What is the InChIKey of 5-N-(2,3-dimethylcyclohexyl)-3-ethyl-1-methylpyrazole-4,5-diamine?
The InChIKey is YFCLTDWYQUEAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-11-13(15)14(18(4)17-11)16-12-8-6-7-9(2)10(12)3/h9-10,12,16H,5-8,15H2,1-4H3.
What are the key properties of 5-N-(2,3-dimethylcyclohexyl)-3-ethyl-1-methylpyrazole-4,5-diamine?
5-N-(2,3-dimethylcyclohexyl)-3-ethyl-1-methylpyrazole-4,5-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,3-dimethylcyclohexyl)-3-ethyl-1-methylpyrazole-4,5-diamine is sourced from PubChem (CID 66016356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).