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

C13H26N4 — CID 66017999

IUPAC5-N,1-dimethyl-5-N-(2-methylbutyl)-3-propan-2-ylpyrazole-4,5-diamine
SMILESCCC(C)CN(C)c1c(N)c(C(C)C)nn1C
InChIInChI=1S/C13H26N4/c1-7-10(4)8-16(5)13-11(14)12(9(2)3)15-17(13)6/h9-10H,7-8,14H2,1-6H3
InChIKeyJPHWHGVUBJYYBT-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.61
Rot. Bonds5

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

5-N,1-dimethyl-5-N-(2-methylbutyl)-3-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66017999) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 5-N,1-dimethyl-5-N-(2-methylbutyl)-3-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N,1-dimethyl-5-N-(2-methylbutyl)-3-propan-2-ylpyrazole-4,5-diamine
PubChem CID66017999
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name5-N,1-dimethyl-5-N-(2-methylbutyl)-3-propan-2-ylpyrazole-4,5-diamine
SMILESCCC(C)CN(C)c1c(N)c(C(C)C)nn1C
InChIInChI=1S/C13H26N4/c1-7-10(4)8-16(5)13-11(14)12(9(2)3)15-17(13)6/h9-10H,7-8,14H2,1-6H3
InChIKeyJPHWHGVUBJYYBT-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-methylamino]propan-2-ol
CID 66019786
5-N,1-dimethyl-5-N-(2-methylbutyl)-3-propylpyrazole-4,5-diamine
CID 66019042
2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-methylamino]ethanol
CID 66019160
5-N-(2,2-dimethylpropyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66019013
5-N-(2-ethoxyethyl)-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine
CID 81059062
5-N,1-dimethyl-5-N-[2-(methylamino)ethyl]-3-propan-2-ylpyrazole-4,5-diamine
CID 66011559
5-N,1-dimethyl-5-N-(1-methylsulfanylbutan-2-yl)-3-propan-2-ylpyrazole-4,5-diamine
CID 112656930
4-(aminomethyl)-N,1,3-trimethyl-N-(2-methylbutyl)pyrazol-5-amine
CID 43296122
5-N,1-dimethyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine
CID 66012525
5-N-[(5-bromothiophen-3-yl)methyl]-5-N,1-dimethyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018219
5-N,1-dimethyl-5-N-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine
CID 66011553
2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-(2-hydroxyethyl)amino]ethanol
CID 66019367

Frequently Asked Questions

What is the IUPAC name of 5-N,1-dimethyl-5-N-(2-methylbutyl)-3-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N,1-dimethyl-5-N-(2-methylbutyl)-3-propan-2-ylpyrazole-4,5-diamine (CID 66017999) is 5-N,1-dimethyl-5-N-(2-methylbutyl)-3-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N,1-dimethyl-5-N-(2-methylbutyl)-3-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N,1-dimethyl-5-N-(2-methylbutyl)-3-propan-2-ylpyrazole-4,5-diamine is CCC(C)CN(C)c1c(N)c(C(C)C)nn1C.
What is the InChIKey of 5-N,1-dimethyl-5-N-(2-methylbutyl)-3-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is JPHWHGVUBJYYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-7-10(4)8-16(5)13-11(14)12(9(2)3)15-17(13)6/h9-10H,7-8,14H2,1-6H3.
What are the key properties of 5-N,1-dimethyl-5-N-(2-methylbutyl)-3-propan-2-ylpyrazole-4,5-diamine?
5-N,1-dimethyl-5-N-(2-methylbutyl)-3-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 238.38 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,1-dimethyl-5-N-(2-methylbutyl)-3-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66017999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).