5-N,5-N-dimethyl-1-(3-methylbutyl)pyrazole-4,5-diamine;ethane

C12H26N4 — CID 142163154

IUPAC5-N,5-N-dimethyl-1-(3-methylbutyl)pyrazole-4,5-diamine;ethane
SMILESCC.CC(C)CCn1ncc(N)c1N(C)C
InChIInChI=1S/C10H20N4.C2H6/c1-8(2)5-6-14-10(13(3)4)9(11)7-12-14;1-2/h7-8H,5-6,11H2,1-4H3;1-2H3
InChIKeyRDVKWIJYOBIDAC-UHFFFAOYSA-N
MW226.37 g/mol
LogP2.60
Rot. Bonds4

About 5-N,5-N-dimethyl-1-(3-methylbutyl)pyrazole-4,5-diamine;ethane

5-N,5-N-dimethyl-1-(3-methylbutyl)pyrazole-4,5-diamine;ethane (PubChem CID 142163154) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is 5-N,5-N-dimethyl-1-(3-methylbutyl)pyrazole-4,5-diamine;ethane.

Molecular Properties

Compound Name5-N,5-N-dimethyl-1-(3-methylbutyl)pyrazole-4,5-diamine;ethane
PubChem CID142163154
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name5-N,5-N-dimethyl-1-(3-methylbutyl)pyrazole-4,5-diamine;ethane
SMILESCC.CC(C)CCn1ncc(N)c1N(C)C
InChIInChI=1S/C10H20N4.C2H6/c1-8(2)5-6-14-10(13(3)4)9(11)7-12-14;1-2/h7-8H,5-6,11H2,1-4H3;1-2H3
InChIKeyRDVKWIJYOBIDAC-UHFFFAOYSA-N
XLogP2.60
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(dimethylamino)-3-methylbutyl]pyrazole-4,5-diamine
CID 58913904
1-(3-methoxybutyl)pyrazole-4,5-diamine
CID 58913917
4-amino-1-ethyl-N-methyl-N-(3-methylbutyl)pyrazole-5-carboxamide
CID 65357697
1-(3-amino-2-methylpropyl)pyrazole-4,5-diamine
CID 22227389
sulfuric acid;5-N,5-N,1-trimethylpyrazole-4,5-diamine
CID 67825980
[3-(3-methylbutyl)triazol-4-yl]methanamine
CID 82208466
ethyl 5-methyl-1-(3-methylbutyl)pyrazole-4-carboxylate
CID 63235032
5-(methylamino)-2-(3-methylbutyl)pyridazin-3-one
CID 103218528
5-amino-N,1-dimethyl-N-(3-methylbutyl)pyrazole-4-carboxamide
CID 115330507
5-methyl-1-(3-methylbutyl)triazol-4-amine
CID 79542788
(1R)-1-[1-(3-methylbutyl)pyrazol-4-yl]ethanamine
CID 94575315
(1S)-1-[1-(3-methylbutyl)pyrazol-4-yl]ethanamine
CID 94575316

Frequently Asked Questions

What is the IUPAC name of 5-N,5-N-dimethyl-1-(3-methylbutyl)pyrazole-4,5-diamine;ethane?
The IUPAC name of 5-N,5-N-dimethyl-1-(3-methylbutyl)pyrazole-4,5-diamine;ethane (CID 142163154) is 5-N,5-N-dimethyl-1-(3-methylbutyl)pyrazole-4,5-diamine;ethane.
What is the SMILES notation for 5-N,5-N-dimethyl-1-(3-methylbutyl)pyrazole-4,5-diamine;ethane?
The canonical SMILES for 5-N,5-N-dimethyl-1-(3-methylbutyl)pyrazole-4,5-diamine;ethane is CC.CC(C)CCn1ncc(N)c1N(C)C.
What is the InChIKey of 5-N,5-N-dimethyl-1-(3-methylbutyl)pyrazole-4,5-diamine;ethane?
The InChIKey is RDVKWIJYOBIDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4.C2H6/c1-8(2)5-6-14-10(13(3)4)9(11)7-12-14;1-2/h7-8H,5-6,11H2,1-4H3;1-2H3.
What are the key properties of 5-N,5-N-dimethyl-1-(3-methylbutyl)pyrazole-4,5-diamine;ethane?
5-N,5-N-dimethyl-1-(3-methylbutyl)pyrazole-4,5-diamine;ethane has a molecular weight of 226.37 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N-dimethyl-1-(3-methylbutyl)pyrazole-4,5-diamine;ethane is sourced from PubChem (CID 142163154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).