5-N-(2,2-dimethylpropyl)-1,3-dimethylpyrazole-4,5-diamine

C10H20N4 — CID 15907520

IUPAC5-N-(2,2-dimethylpropyl)-1,3-dimethylpyrazole-4,5-diamine
SMILESCc1nn(C)c(NCC(C)(C)C)c1N
InChIInChI=1S/C10H20N4/c1-7-8(11)9(14(5)13-7)12-6-10(2,3)4/h12H,6,11H2,1-5H3
InChIKeyLWFIQOVKSSDNPF-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.77
Rot. Bonds2

About 5-N-(2,2-dimethylpropyl)-1,3-dimethylpyrazole-4,5-diamine

5-N-(2,2-dimethylpropyl)-1,3-dimethylpyrazole-4,5-diamine (PubChem CID 15907520) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 5-N-(2,2-dimethylpropyl)-1,3-dimethylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(2,2-dimethylpropyl)-1,3-dimethylpyrazole-4,5-diamine
PubChem CID15907520
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name5-N-(2,2-dimethylpropyl)-1,3-dimethylpyrazole-4,5-diamine
SMILESCc1nn(C)c(NCC(C)(C)C)c1N
InChIInChI=1S/C10H20N4/c1-7-8(11)9(14(5)13-7)12-6-10(2,3)4/h12H,6,11H2,1-5H3
InChIKeyLWFIQOVKSSDNPF-UHFFFAOYSA-N
XLogP1.77
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2,2-dimethylpropyl)-1,3-dimethylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(2,2-dimethylpropyl)-1,3-dimethylpyrazole-4,5-diamine (CID 15907520) is 5-N-(2,2-dimethylpropyl)-1,3-dimethylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(2,2-dimethylpropyl)-1,3-dimethylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(2,2-dimethylpropyl)-1,3-dimethylpyrazole-4,5-diamine is Cc1nn(C)c(NCC(C)(C)C)c1N.
What is the InChIKey of 5-N-(2,2-dimethylpropyl)-1,3-dimethylpyrazole-4,5-diamine?
The InChIKey is LWFIQOVKSSDNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-7-8(11)9(14(5)13-7)12-6-10(2,3)4/h12H,6,11H2,1-5H3.
What are the key properties of 5-N-(2,2-dimethylpropyl)-1,3-dimethylpyrazole-4,5-diamine?
5-N-(2,2-dimethylpropyl)-1,3-dimethylpyrazole-4,5-diamine has a molecular weight of 196.30 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,2-dimethylpropyl)-1,3-dimethylpyrazole-4,5-diamine is sourced from PubChem (CID 15907520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).