5-[[3,3-dimethylbutyl(methyl)amino]methyl]-1H-pyrazol-3-amine

C11H22N4 — CID 117038795

IUPAC5-[[3,3-dimethylbutyl(methyl)amino]methyl]-1H-pyrazol-3-amine
SMILESCN(CCC(C)(C)C)Cc1cc(N)n[nH]1
InChIInChI=1S/C11H22N4/c1-11(2,3)5-6-15(4)8-9-7-10(12)14-13-9/h7H,5-6,8H2,1-4H3,(H3,12,13,14)
InChIKeyIZFZYGVTOAYUHM-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.86
Rot. Bonds4

About 5-[[3,3-dimethylbutyl(methyl)amino]methyl]-1H-pyrazol-3-amine

5-[[3,3-dimethylbutyl(methyl)amino]methyl]-1H-pyrazol-3-amine (PubChem CID 117038795) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-[[3,3-dimethylbutyl(methyl)amino]methyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[[3,3-dimethylbutyl(methyl)amino]methyl]-1H-pyrazol-3-amine
PubChem CID117038795
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name5-[[3,3-dimethylbutyl(methyl)amino]methyl]-1H-pyrazol-3-amine
SMILESCN(CCC(C)(C)C)Cc1cc(N)n[nH]1
InChIInChI=1S/C11H22N4/c1-11(2,3)5-6-15(4)8-9-7-10(12)14-13-9/h7H,5-6,8H2,1-4H3,(H3,12,13,14)
InChIKeyIZFZYGVTOAYUHM-UHFFFAOYSA-N
XLogP1.86
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[methyl(pentyl)amino]methyl]-1H-pyrazol-3-amine
CID 117038793
5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-1H-pyrazol-3-amine
CID 117038825
5-[[methyl(propan-2-yl)amino]methyl]-1H-pyrazol-3-amine
CID 117038615
5-[[cyclobutylmethyl(methyl)amino]methyl]-1H-pyrazol-3-amine
CID 117038791
5-(3,3-difluorobutyl)-1H-pyrazol-3-amine
CID 129066328
5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine
CID 117038777
5-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine
CID 117038750
5-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine
CID 117038736
3-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]propanoic acid
CID 120586281
5-(aminomethyl)-1H-pyrazol-3-amine
CID 83845336
5-[[(4-bromothiophen-2-yl)-methylamino]methyl]-1H-pyrazol-3-amine
CID 117038672
5-[(N,2,5-trimethylanilino)methyl]-1H-pyrazol-3-amine
CID 117038622

Frequently Asked Questions

What is the IUPAC name of 5-[[3,3-dimethylbutyl(methyl)amino]methyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[[3,3-dimethylbutyl(methyl)amino]methyl]-1H-pyrazol-3-amine (CID 117038795) is 5-[[3,3-dimethylbutyl(methyl)amino]methyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[[3,3-dimethylbutyl(methyl)amino]methyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[[3,3-dimethylbutyl(methyl)amino]methyl]-1H-pyrazol-3-amine is CN(CCC(C)(C)C)Cc1cc(N)n[nH]1.
What is the InChIKey of 5-[[3,3-dimethylbutyl(methyl)amino]methyl]-1H-pyrazol-3-amine?
The InChIKey is IZFZYGVTOAYUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-11(2,3)5-6-15(4)8-9-7-10(12)14-13-9/h7H,5-6,8H2,1-4H3,(H3,12,13,14).
What are the key properties of 5-[[3,3-dimethylbutyl(methyl)amino]methyl]-1H-pyrazol-3-amine?
5-[[3,3-dimethylbutyl(methyl)amino]methyl]-1H-pyrazol-3-amine has a molecular weight of 210.32 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3,3-dimethylbutyl(methyl)amino]methyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 117038795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).