1-[4-(dimethylamino)-3-methylbutyl]pyrazole-4,5-diamine

C10H21N5 — CID 58913904

IUPAC1-[4-(dimethylamino)-3-methylbutyl]pyrazole-4,5-diamine
SMILESCC(CCn1ncc(N)c1N)CN(C)C
InChIInChI=1S/C10H21N5/c1-8(7-14(2)3)4-5-15-10(12)9(11)6-13-15/h6,8H,4-5,7,11-12H2,1-3H3
InChIKeyALIITCJPJXTBKL-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.64
Rot. Bonds5

About 1-[4-(dimethylamino)-3-methylbutyl]pyrazole-4,5-diamine

1-[4-(dimethylamino)-3-methylbutyl]pyrazole-4,5-diamine (PubChem CID 58913904) has the molecular formula C10H21N5 and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-3-methylbutyl]pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-[4-(dimethylamino)-3-methylbutyl]pyrazole-4,5-diamine
PubChem CID58913904
Molecular FormulaC10H21N5
Molecular Weight211.31 g/mol
Exact Mass211.18
IUPAC Name1-[4-(dimethylamino)-3-methylbutyl]pyrazole-4,5-diamine
SMILESCC(CCn1ncc(N)c1N)CN(C)C
InChIInChI=1S/C10H21N5/c1-8(7-14(2)3)4-5-15-10(12)9(11)6-13-15/h6,8H,4-5,7,11-12H2,1-3H3
InChIKeyALIITCJPJXTBKL-UHFFFAOYSA-N
XLogP0.64
TPSA73.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxybutyl)pyrazole-4,5-diamine
CID 58913917
1-(3-amino-2-methylpropyl)pyrazole-4,5-diamine
CID 22227389
5-N,5-N-dimethyl-1-(3-methylbutyl)pyrazole-4,5-diamine;ethane
CID 142163154
1-(3-aminopropyl)pyrazole-4,5-diamine
CID 22227390
4-(4,5-diaminopyrazol-1-yl)butanamide
CID 58913950
1-(4,5-diaminopyrazol-1-yl)pentane-2,3-diol
CID 58980398
3-[4-amino-1-[3-(dimethylamino)-2-methylpropyl]pyrazol-3-yl]-1-[3-(dimethylamino)-2-methylpropyl]pyrazol-4-amine
CID 174781515
4-nitro-1-propylpyrazol-5-amine;1-propylpyrazole-4,5-diamine
CID 160635766
2-(4,5-diaminopyrazol-1-yl)ethanol;2-methylbenzene-1,3-diol
CID 68563050
4-amino-1-ethyl-N-methyl-N-(3-methylbutyl)pyrazole-5-carboxamide
CID 65357697
1-prop-2-enylpyrazole-4,5-diamine
CID 67655592
4-amino-N-[4-(dimethylamino)butan-2-yl]-1-methylpyrazole-5-carboxamide
CID 65359893

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-3-methylbutyl]pyrazole-4,5-diamine?
The IUPAC name of 1-[4-(dimethylamino)-3-methylbutyl]pyrazole-4,5-diamine (CID 58913904) is 1-[4-(dimethylamino)-3-methylbutyl]pyrazole-4,5-diamine.
What is the SMILES notation for 1-[4-(dimethylamino)-3-methylbutyl]pyrazole-4,5-diamine?
The canonical SMILES for 1-[4-(dimethylamino)-3-methylbutyl]pyrazole-4,5-diamine is CC(CCn1ncc(N)c1N)CN(C)C.
What is the InChIKey of 1-[4-(dimethylamino)-3-methylbutyl]pyrazole-4,5-diamine?
The InChIKey is ALIITCJPJXTBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5/c1-8(7-14(2)3)4-5-15-10(12)9(11)6-13-15/h6,8H,4-5,7,11-12H2,1-3H3.
What are the key properties of 1-[4-(dimethylamino)-3-methylbutyl]pyrazole-4,5-diamine?
1-[4-(dimethylamino)-3-methylbutyl]pyrazole-4,5-diamine has a molecular weight of 211.31 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-3-methylbutyl]pyrazole-4,5-diamine is sourced from PubChem (CID 58913904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).