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

C11H22N4 — CID 104827479

IUPAC5-N-(3,3-dimethylbutan-2-yl)-1,3-dimethylpyrazole-4,5-diamine
SMILESCc1nn(C)c(NC(C)C(C)(C)C)c1N
InChIInChI=1S/C11H22N4/c1-7-9(12)10(15(6)14-7)13-8(2)11(3,4)5/h8,13H,12H2,1-6H3
InChIKeyZSMYJFUXWBSEPF-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.16
Rot. Bonds2

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

5-N-(3,3-dimethylbutan-2-yl)-1,3-dimethylpyrazole-4,5-diamine (PubChem CID 104827479) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-N-(3,3-dimethylbutan-2-yl)-1,3-dimethylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(3,3-dimethylbutan-2-yl)-1,3-dimethylpyrazole-4,5-diamine
PubChem CID104827479
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name5-N-(3,3-dimethylbutan-2-yl)-1,3-dimethylpyrazole-4,5-diamine
SMILESCc1nn(C)c(NC(C)C(C)(C)C)c1N
InChIInChI=1S/C11H22N4/c1-7-9(12)10(15(6)14-7)13-8(2)11(3,4)5/h8,13H,12H2,1-6H3
InChIKeyZSMYJFUXWBSEPF-UHFFFAOYSA-N
XLogP2.16
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]ethanol
CID 70039716
2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propanamide
CID 43554343
5-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-dimethylpyrazole-4,5-diamine
CID 54964916
5-N-[1-(furan-2-yl)ethyl]-1,3-dimethylpyrazole-4,5-diamine
CID 43554339
1,3-dimethyl-5-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4,5-diamine
CID 54965110
4-amino-1,3-dimethyl-5-(sulfamoylamino)pyrazole
CID 114958732
3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]-3-methylbutanamide
CID 106095591
5-N-(2-ethyl-2-methylsulfanylbutyl)-1,3-dimethylpyrazole-4,5-diamine
CID 114115588
5-N-tert-butyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66028498
N-[1-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 63863549
1,3-dimethyl-5-N-(2-methylpropylsulfamoyl)pyrazole-4,5-diamine
CID 114814208
1,3-dimethyl-5-N-(3-methylsulfanylpropyl)pyrazole-4,5-diamine
CID 63982907

Frequently Asked Questions

What is the IUPAC name of 5-N-(3,3-dimethylbutan-2-yl)-1,3-dimethylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(3,3-dimethylbutan-2-yl)-1,3-dimethylpyrazole-4,5-diamine (CID 104827479) is 5-N-(3,3-dimethylbutan-2-yl)-1,3-dimethylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(3,3-dimethylbutan-2-yl)-1,3-dimethylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(3,3-dimethylbutan-2-yl)-1,3-dimethylpyrazole-4,5-diamine is Cc1nn(C)c(NC(C)C(C)(C)C)c1N.
What is the InChIKey of 5-N-(3,3-dimethylbutan-2-yl)-1,3-dimethylpyrazole-4,5-diamine?
The InChIKey is ZSMYJFUXWBSEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-7-9(12)10(15(6)14-7)13-8(2)11(3,4)5/h8,13H,12H2,1-6H3.
What are the key properties of 5-N-(3,3-dimethylbutan-2-yl)-1,3-dimethylpyrazole-4,5-diamine?
5-N-(3,3-dimethylbutan-2-yl)-1,3-dimethylpyrazole-4,5-diamine has a molecular weight of 210.32 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3,3-dimethylbutan-2-yl)-1,3-dimethylpyrazole-4,5-diamine is sourced from PubChem (CID 104827479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).