5-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-ethyl-3-methylpyrazole-4,5-diamine

C13H27N5 — CID 66011469

IUPAC5-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-ethyl-3-methylpyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NC(CN(C)C)C(C)C
InChIInChI=1S/C13H27N5/c1-7-18-13(12(14)10(4)16-18)15-11(9(2)3)8-17(5)6/h9,11,15H,7-8,14H2,1-6H3
InChIKeyDVAGLAADYAGHBX-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.79
Rot. Bonds6

About 5-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-ethyl-3-methylpyrazole-4,5-diamine

5-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-ethyl-3-methylpyrazole-4,5-diamine (PubChem CID 66011469) has the molecular formula C13H27N5 and a molecular weight of 253.39 g/mol. Its IUPAC name is 5-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-ethyl-3-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-ethyl-3-methylpyrazole-4,5-diamine
PubChem CID66011469
Molecular FormulaC13H27N5
Molecular Weight253.39 g/mol
Exact Mass253.23
IUPAC Name5-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-ethyl-3-methylpyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NC(CN(C)C)C(C)C
InChIInChI=1S/C13H27N5/c1-7-18-13(12(14)10(4)16-18)15-11(9(2)3)8-17(5)6/h9,11,15H,7-8,14H2,1-6H3
InChIKeyDVAGLAADYAGHBX-UHFFFAOYSA-N
XLogP1.79
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-methyl-5-N-(3-methylbutyl)pyrazole-4,5-diamine
CID 66011030
1-ethyl-5-N-heptan-2-yl-3-methylpyrazole-4,5-diamine
CID 66011661
1-ethyl-3-methyl-5-N-(1-methylsulfonylpropan-2-yl)pyrazole-4,5-diamine
CID 66013458
5-N-[5-(diethylamino)pentan-2-yl]-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66011618
1-ethyl-3-methyl-5-N-(4-methylpentyl)pyrazole-4,5-diamine
CID 66012859
5-N-(1-cyclohexylethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66011682
1-ethyl-3-methyl-5-N-(5-methylhexyl)pyrazole-4,5-diamine
CID 113287312
1-ethyl-3-methyl-5-N-[1-(2-methylphenyl)ethyl]pyrazole-4,5-diamine
CID 66013032
4-amino-N-[1-(dimethylamino)propan-2-yl]-1-ethyl-3-methylpyrazole-5-carboxamide
CID 82944743
1-ethyl-3-methyl-5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrazole-4,5-diamine
CID 114182304
1-ethyl-5-N,3-dimethyl-5-N-(3-methylbutan-2-yl)pyrazole-4,5-diamine
CID 66013014
5-N-(2,2-difluoroethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 115405464

Frequently Asked Questions

What is the IUPAC name of 5-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-ethyl-3-methylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-ethyl-3-methylpyrazole-4,5-diamine (CID 66011469) is 5-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-ethyl-3-methylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-ethyl-3-methylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-ethyl-3-methylpyrazole-4,5-diamine is CCn1nc(C)c(N)c1NC(CN(C)C)C(C)C.
What is the InChIKey of 5-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-ethyl-3-methylpyrazole-4,5-diamine?
The InChIKey is DVAGLAADYAGHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5/c1-7-18-13(12(14)10(4)16-18)15-11(9(2)3)8-17(5)6/h9,11,15H,7-8,14H2,1-6H3.
What are the key properties of 5-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-ethyl-3-methylpyrazole-4,5-diamine?
5-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-ethyl-3-methylpyrazole-4,5-diamine has a molecular weight of 253.39 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-ethyl-3-methylpyrazole-4,5-diamine is sourced from PubChem (CID 66011469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).