1-ethyl-5-N,3-dimethyl-5-N-(3-methylbutan-2-yl)pyrazole-4,5-diamine

C12H24N4 — CID 66013014

IUPAC1-ethyl-5-N,3-dimethyl-5-N-(3-methylbutan-2-yl)pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1N(C)C(C)C(C)C
InChIInChI=1S/C12H24N4/c1-7-16-12(11(13)9(4)14-16)15(6)10(5)8(2)3/h8,10H,7,13H2,1-6H3
InChIKeyYSUIQUXAEBHYQX-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.27
Rot. Bonds4

About 1-ethyl-5-N,3-dimethyl-5-N-(3-methylbutan-2-yl)pyrazole-4,5-diamine

1-ethyl-5-N,3-dimethyl-5-N-(3-methylbutan-2-yl)pyrazole-4,5-diamine (PubChem CID 66013014) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-ethyl-5-N,3-dimethyl-5-N-(3-methylbutan-2-yl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-ethyl-5-N,3-dimethyl-5-N-(3-methylbutan-2-yl)pyrazole-4,5-diamine
PubChem CID66013014
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name1-ethyl-5-N,3-dimethyl-5-N-(3-methylbutan-2-yl)pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1N(C)C(C)C(C)C
InChIInChI=1S/C12H24N4/c1-7-16-12(11(13)9(4)14-16)15(6)10(5)8(2)3/h8,10H,7,13H2,1-6H3
InChIKeyYSUIQUXAEBHYQX-UHFFFAOYSA-N
XLogP2.27
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-5-N,3-dimethyl-5-N-(4-methylpentan-2-yl)pyrazole-4,5-diamine
CID 66011670
1-ethyl-5-N,3-dimethyl-5-N-(4-methylcyclohexyl)pyrazole-4,5-diamine
CID 66011851
1-ethyl-5-N-(4-ethylcyclohexyl)-5-N,3-dimethylpyrazole-4,5-diamine
CID 66013415
5-N-(cyclopropylmethyl)-1-ethyl-5-N,3-dimethylpyrazole-4,5-diamine
CID 66011650
3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-propan-2-ylamino]propanenitrile
CID 66011475
1-ethyl-5-N,3-dimethyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
CID 66012482
5-N-butan-2-yl-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66029669
5-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66011469
2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-methylamino]-N-ethylacetamide
CID 66011861
2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]propan-1-ol
CID 104551141
1-ethyl-5-N,3-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyrazole-4,5-diamine
CID 66011883
5-N-(1-cyclopropylethyl)-1-ethyl-5-N-(2-methoxyethyl)-3-methylpyrazole-4,5-diamine
CID 66012447

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-N,3-dimethyl-5-N-(3-methylbutan-2-yl)pyrazole-4,5-diamine?
The IUPAC name of 1-ethyl-5-N,3-dimethyl-5-N-(3-methylbutan-2-yl)pyrazole-4,5-diamine (CID 66013014) is 1-ethyl-5-N,3-dimethyl-5-N-(3-methylbutan-2-yl)pyrazole-4,5-diamine.
What is the SMILES notation for 1-ethyl-5-N,3-dimethyl-5-N-(3-methylbutan-2-yl)pyrazole-4,5-diamine?
The canonical SMILES for 1-ethyl-5-N,3-dimethyl-5-N-(3-methylbutan-2-yl)pyrazole-4,5-diamine is CCn1nc(C)c(N)c1N(C)C(C)C(C)C.
What is the InChIKey of 1-ethyl-5-N,3-dimethyl-5-N-(3-methylbutan-2-yl)pyrazole-4,5-diamine?
The InChIKey is YSUIQUXAEBHYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-7-16-12(11(13)9(4)14-16)15(6)10(5)8(2)3/h8,10H,7,13H2,1-6H3.
What are the key properties of 1-ethyl-5-N,3-dimethyl-5-N-(3-methylbutan-2-yl)pyrazole-4,5-diamine?
1-ethyl-5-N,3-dimethyl-5-N-(3-methylbutan-2-yl)pyrazole-4,5-diamine has a molecular weight of 224.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-N,3-dimethyl-5-N-(3-methylbutan-2-yl)pyrazole-4,5-diamine is sourced from PubChem (CID 66013014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).