1-ethyl-3-methyl-5-N-(3,3,5,5-tetramethylcyclohexyl)pyrazole-4,5-diamine

C16H30N4 — CID 103965336

IUPAC1-ethyl-3-methyl-5-N-(3,3,5,5-tetramethylcyclohexyl)pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C16H30N4/c1-7-20-14(13(17)11(2)19-20)18-12-8-15(3,4)10-16(5,6)9-12/h12,18H,7-10,17H2,1-6H3
InChIKeyFOCIEEGZSMBSIO-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.81
Rot. Bonds3

About 1-ethyl-3-methyl-5-N-(3,3,5,5-tetramethylcyclohexyl)pyrazole-4,5-diamine

1-ethyl-3-methyl-5-N-(3,3,5,5-tetramethylcyclohexyl)pyrazole-4,5-diamine (PubChem CID 103965336) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-N-(3,3,5,5-tetramethylcyclohexyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-N-(3,3,5,5-tetramethylcyclohexyl)pyrazole-4,5-diamine
PubChem CID103965336
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name1-ethyl-3-methyl-5-N-(3,3,5,5-tetramethylcyclohexyl)pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C16H30N4/c1-7-20-14(13(17)11(2)19-20)18-12-8-15(3,4)10-16(5,6)9-12/h12,18H,7-10,17H2,1-6H3
InChIKeyFOCIEEGZSMBSIO-UHFFFAOYSA-N
XLogP3.81
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-5-N-(3,3,5,5-tetramethylcyclohexyl)pyrazole-4,5-diamine?
The IUPAC name of 1-ethyl-3-methyl-5-N-(3,3,5,5-tetramethylcyclohexyl)pyrazole-4,5-diamine (CID 103965336) is 1-ethyl-3-methyl-5-N-(3,3,5,5-tetramethylcyclohexyl)pyrazole-4,5-diamine.
What is the SMILES notation for 1-ethyl-3-methyl-5-N-(3,3,5,5-tetramethylcyclohexyl)pyrazole-4,5-diamine?
The canonical SMILES for 1-ethyl-3-methyl-5-N-(3,3,5,5-tetramethylcyclohexyl)pyrazole-4,5-diamine is CCn1nc(C)c(N)c1NC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 1-ethyl-3-methyl-5-N-(3,3,5,5-tetramethylcyclohexyl)pyrazole-4,5-diamine?
The InChIKey is FOCIEEGZSMBSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-7-20-14(13(17)11(2)19-20)18-12-8-15(3,4)10-16(5,6)9-12/h12,18H,7-10,17H2,1-6H3.
What are the key properties of 1-ethyl-3-methyl-5-N-(3,3,5,5-tetramethylcyclohexyl)pyrazole-4,5-diamine?
1-ethyl-3-methyl-5-N-(3,3,5,5-tetramethylcyclohexyl)pyrazole-4,5-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-5-N-(3,3,5,5-tetramethylcyclohexyl)pyrazole-4,5-diamine is sourced from PubChem (CID 103965336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).