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

C14H26N4 — CID 66014444

IUPAC5-N-(4,4-dimethylcyclohexyl)-3-ethyl-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(NC2CCC(C)(C)CC2)c1N
InChIInChI=1S/C14H26N4/c1-5-11-12(15)13(18(4)17-11)16-10-6-8-14(2,3)9-7-10/h10,16H,5-9,15H2,1-4H3
InChIKeyKGAVLTNESUWALO-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.95
Rot. Bonds3

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

5-N-(4,4-dimethylcyclohexyl)-3-ethyl-1-methylpyrazole-4,5-diamine (PubChem CID 66014444) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 5-N-(4,4-dimethylcyclohexyl)-3-ethyl-1-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(4,4-dimethylcyclohexyl)-3-ethyl-1-methylpyrazole-4,5-diamine
PubChem CID66014444
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name5-N-(4,4-dimethylcyclohexyl)-3-ethyl-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(NC2CCC(C)(C)CC2)c1N
InChIInChI=1S/C14H26N4/c1-5-11-12(15)13(18(4)17-11)16-10-6-8-14(2,3)9-7-10/h10,16H,5-9,15H2,1-4H3
InChIKeyKGAVLTNESUWALO-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-1H,4H,5H,6H,7H-pyrazolo(3,4-b)pyridin-5-amine dihydrochloride
CID 137248458
1,3-Dimethyl-1H,4H,5H,6H,7H-pyrazolo[3,4-B]pyridin-5-amine
CID 135833149
1-methyl-3-propan-2-yl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
CID 66010967
3-ethyl-1-methyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
CID 66016040
1-methyl-3-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 66018250
1-methyl-5-N,3-di(propan-2-yl)-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 66018428
1-methyl-3-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 66018756
1-methyl-3-propyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
CID 66018896
3-ethyl-1-methyl-5-N-(4,4,4-trifluorobutan-2-yl)pyrazole-4,5-diamine
CID 105927721
1-methyl-3-propyl-5-N-(4,4,4-trifluorobutan-2-yl)pyrazole-4,5-diamine
CID 105927758
1-methyl-3-propyl-5-N-(2,2,3,3-tetrafluoropropyl)pyrazole-4,5-diamine
CID 106289804
1-methyl-3-propan-2-yl-5-N-(2,2,3,3-tetrafluoropropyl)pyrazole-4,5-diamine
CID 106289812

Frequently Asked Questions

What is the IUPAC name of 5-N-(4,4-dimethylcyclohexyl)-3-ethyl-1-methylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(4,4-dimethylcyclohexyl)-3-ethyl-1-methylpyrazole-4,5-diamine (CID 66014444) is 5-N-(4,4-dimethylcyclohexyl)-3-ethyl-1-methylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(4,4-dimethylcyclohexyl)-3-ethyl-1-methylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(4,4-dimethylcyclohexyl)-3-ethyl-1-methylpyrazole-4,5-diamine is CCc1nn(C)c(NC2CCC(C)(C)CC2)c1N.
What is the InChIKey of 5-N-(4,4-dimethylcyclohexyl)-3-ethyl-1-methylpyrazole-4,5-diamine?
The InChIKey is KGAVLTNESUWALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-11-12(15)13(18(4)17-11)16-10-6-8-14(2,3)9-7-10/h10,16H,5-9,15H2,1-4H3.
What are the key properties of 5-N-(4,4-dimethylcyclohexyl)-3-ethyl-1-methylpyrazole-4,5-diamine?
5-N-(4,4-dimethylcyclohexyl)-3-ethyl-1-methylpyrazole-4,5-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4,4-dimethylcyclohexyl)-3-ethyl-1-methylpyrazole-4,5-diamine is sourced from PubChem (CID 66014444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).