1-ethyl-5-N,3-dimethyl-5-N-(4-methylpentan-2-yl)pyrazole-4,5-diamine

C13H26N4 — CID 66011670

IUPAC1-ethyl-5-N,3-dimethyl-5-N-(4-methylpentan-2-yl)pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1N(C)C(C)CC(C)C
InChIInChI=1S/C13H26N4/c1-7-17-13(12(14)11(5)15-17)16(6)10(4)8-9(2)3/h9-10H,7-8,14H2,1-6H3
InChIKeyZKOFGEGEXZSONU-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.66
Rot. Bonds5

About 1-ethyl-5-N,3-dimethyl-5-N-(4-methylpentan-2-yl)pyrazole-4,5-diamine

1-ethyl-5-N,3-dimethyl-5-N-(4-methylpentan-2-yl)pyrazole-4,5-diamine (PubChem CID 66011670) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 1-ethyl-5-N,3-dimethyl-5-N-(4-methylpentan-2-yl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-ethyl-5-N,3-dimethyl-5-N-(4-methylpentan-2-yl)pyrazole-4,5-diamine
PubChem CID66011670
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name1-ethyl-5-N,3-dimethyl-5-N-(4-methylpentan-2-yl)pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1N(C)C(C)CC(C)C
InChIInChI=1S/C13H26N4/c1-7-17-13(12(14)11(5)15-17)16(6)10(4)8-9(2)3/h9-10H,7-8,14H2,1-6H3
InChIKeyZKOFGEGEXZSONU-UHFFFAOYSA-N
XLogP2.66
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.66
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-methylpentan-2-yl)pyrazole-4,5-diamine?
The IUPAC name of 1-ethyl-5-N,3-dimethyl-5-N-(4-methylpentan-2-yl)pyrazole-4,5-diamine (CID 66011670) is 1-ethyl-5-N,3-dimethyl-5-N-(4-methylpentan-2-yl)pyrazole-4,5-diamine.
What is the SMILES notation for 1-ethyl-5-N,3-dimethyl-5-N-(4-methylpentan-2-yl)pyrazole-4,5-diamine?
The canonical SMILES for 1-ethyl-5-N,3-dimethyl-5-N-(4-methylpentan-2-yl)pyrazole-4,5-diamine is CCn1nc(C)c(N)c1N(C)C(C)CC(C)C.
What is the InChIKey of 1-ethyl-5-N,3-dimethyl-5-N-(4-methylpentan-2-yl)pyrazole-4,5-diamine?
The InChIKey is ZKOFGEGEXZSONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-7-17-13(12(14)11(5)15-17)16(6)10(4)8-9(2)3/h9-10H,7-8,14H2,1-6H3.
What are the key properties of 1-ethyl-5-N,3-dimethyl-5-N-(4-methylpentan-2-yl)pyrazole-4,5-diamine?
1-ethyl-5-N,3-dimethyl-5-N-(4-methylpentan-2-yl)pyrazole-4,5-diamine has a molecular weight of 238.38 g/mol, XLogP of 2.66, 5 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-methylpentan-2-yl)pyrazole-4,5-diamine is sourced from PubChem (CID 66011670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).