5-N-(2,2-dimethylpropyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine

C13H26N4 — CID 66019013

IUPAC5-N-(2,2-dimethylpropyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine
SMILESCC(C)c1nn(C)c(N(C)CC(C)(C)C)c1N
InChIInChI=1S/C13H26N4/c1-9(2)11-10(14)12(17(7)15-11)16(6)8-13(3,4)5/h9H,8,14H2,1-7H3
InChIKeyOJVPLMLRLHGIOO-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.61
Rot. Bonds3

About 5-N-(2,2-dimethylpropyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine

5-N-(2,2-dimethylpropyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66019013) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 5-N-(2,2-dimethylpropyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(2,2-dimethylpropyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine
PubChem CID66019013
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name5-N-(2,2-dimethylpropyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine
SMILESCC(C)c1nn(C)c(N(C)CC(C)(C)C)c1N
InChIInChI=1S/C13H26N4/c1-9(2)11-10(14)12(17(7)15-11)16(6)8-13(3,4)5/h9H,8,14H2,1-7H3
InChIKeyOJVPLMLRLHGIOO-UHFFFAOYSA-N
XLogP2.61
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2,2-dimethylpropyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(2,2-dimethylpropyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine (CID 66019013) is 5-N-(2,2-dimethylpropyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(2,2-dimethylpropyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(2,2-dimethylpropyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine is CC(C)c1nn(C)c(N(C)CC(C)(C)C)c1N.
What is the InChIKey of 5-N-(2,2-dimethylpropyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is OJVPLMLRLHGIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-9(2)11-10(14)12(17(7)15-11)16(6)8-13(3,4)5/h9H,8,14H2,1-7H3.
What are the key properties of 5-N-(2,2-dimethylpropyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine?
5-N-(2,2-dimethylpropyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 238.38 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,2-dimethylpropyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66019013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).