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

C14H26N4 — CID 66011851

IUPAC1-ethyl-5-N,3-dimethyl-5-N-(4-methylcyclohexyl)pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1N(C)C1CCC(C)CC1
InChIInChI=1S/C14H26N4/c1-5-18-14(13(15)11(3)16-18)17(4)12-8-6-10(2)7-9-12/h10,12H,5-9,15H2,1-4H3
InChIKeyABXULKIUUFULDS-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.81
Rot. Bonds3

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

1-ethyl-5-N,3-dimethyl-5-N-(4-methylcyclohexyl)pyrazole-4,5-diamine (PubChem CID 66011851) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-ethyl-5-N,3-dimethyl-5-N-(4-methylcyclohexyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-ethyl-5-N,3-dimethyl-5-N-(4-methylcyclohexyl)pyrazole-4,5-diamine
PubChem CID66011851
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-ethyl-5-N,3-dimethyl-5-N-(4-methylcyclohexyl)pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1N(C)C1CCC(C)CC1
InChIInChI=1S/C14H26N4/c1-5-18-14(13(15)11(3)16-18)17(4)12-8-6-10(2)7-9-12/h10,12H,5-9,15H2,1-4H3
InChIKeyABXULKIUUFULDS-UHFFFAOYSA-N
XLogP2.81
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-N,3-dimethyl-5-N-(4-methylcyclohexyl)pyrazole-4,5-diamine?
The IUPAC name of 1-ethyl-5-N,3-dimethyl-5-N-(4-methylcyclohexyl)pyrazole-4,5-diamine (CID 66011851) is 1-ethyl-5-N,3-dimethyl-5-N-(4-methylcyclohexyl)pyrazole-4,5-diamine.
What is the SMILES notation for 1-ethyl-5-N,3-dimethyl-5-N-(4-methylcyclohexyl)pyrazole-4,5-diamine?
The canonical SMILES for 1-ethyl-5-N,3-dimethyl-5-N-(4-methylcyclohexyl)pyrazole-4,5-diamine is CCn1nc(C)c(N)c1N(C)C1CCC(C)CC1.
What is the InChIKey of 1-ethyl-5-N,3-dimethyl-5-N-(4-methylcyclohexyl)pyrazole-4,5-diamine?
The InChIKey is ABXULKIUUFULDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-18-14(13(15)11(3)16-18)17(4)12-8-6-10(2)7-9-12/h10,12H,5-9,15H2,1-4H3.
What are the key properties of 1-ethyl-5-N,3-dimethyl-5-N-(4-methylcyclohexyl)pyrazole-4,5-diamine?
1-ethyl-5-N,3-dimethyl-5-N-(4-methylcyclohexyl)pyrazole-4,5-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-N,3-dimethyl-5-N-(4-methylcyclohexyl)pyrazole-4,5-diamine is sourced from PubChem (CID 66011851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).