[2-[(2,5-dimethylpyrazol-3-yl)methyl]cyclobutyl]methanamine

C11H19N3 — CID 81010612

IUPAC[2-[(2,5-dimethylpyrazol-3-yl)methyl]cyclobutyl]methanamine
SMILESCc1cc(CC2CCC2CN)n(C)n1
InChIInChI=1S/C11H19N3/c1-8-5-11(14(2)13-8)6-9-3-4-10(9)7-12/h5,9-10H,3-4,6-7,12H2,1-2H3
InChIKeyDGULICYHOAHJBR-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.26
Rot. Bonds3

About [2-[(2,5-dimethylpyrazol-3-yl)methyl]cyclobutyl]methanamine

[2-[(2,5-dimethylpyrazol-3-yl)methyl]cyclobutyl]methanamine (PubChem CID 81010612) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is [2-[(2,5-dimethylpyrazol-3-yl)methyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[2-[(2,5-dimethylpyrazol-3-yl)methyl]cyclobutyl]methanamine
PubChem CID81010612
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name[2-[(2,5-dimethylpyrazol-3-yl)methyl]cyclobutyl]methanamine
SMILESCc1cc(CC2CCC2CN)n(C)n1
InChIInChI=1S/C11H19N3/c1-8-5-11(14(2)13-8)6-9-3-4-10(9)7-12/h5,9-10H,3-4,6-7,12H2,1-2H3
InChIKeyDGULICYHOAHJBR-UHFFFAOYSA-N
XLogP1.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2,5-dimethylpyrazol-3-yl)methyl]-4-propylcyclohexyl]methanamine
CID 81012781
[2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine
CID 81009696
[4-ethyl-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexyl]methanamine
CID 81012010
1-[4-(aminomethyl)cyclohexyl]-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 116592412
3-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolidin-2-one
CID 104679409
5-(chloromethyl)-1,3-dimethylpyrazole
CID 4961270
2-(aminomethyl)-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol
CID 106506636
2-(aminomethyl)-3-(2,5-dimethylpyrazol-3-yl)-2-methylpropanoic acid
CID 106487225
N'-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopropanecarboximidamide
CID 130892923
[4-tert-butyl-2-(2,5-dimethylpyrazol-3-yl)sulfanylcyclohexyl]methanamine
CID 62410513
2-(2,5-dimethylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine
CID 105158662
2-cyclopropyl-2-(2,5-dimethylpyrazol-3-yl)propan-1-amine
CID 83830552

Frequently Asked Questions

What is the IUPAC name of [2-[(2,5-dimethylpyrazol-3-yl)methyl]cyclobutyl]methanamine?
The IUPAC name of [2-[(2,5-dimethylpyrazol-3-yl)methyl]cyclobutyl]methanamine (CID 81010612) is [2-[(2,5-dimethylpyrazol-3-yl)methyl]cyclobutyl]methanamine.
What is the SMILES notation for [2-[(2,5-dimethylpyrazol-3-yl)methyl]cyclobutyl]methanamine?
The canonical SMILES for [2-[(2,5-dimethylpyrazol-3-yl)methyl]cyclobutyl]methanamine is Cc1cc(CC2CCC2CN)n(C)n1.
What is the InChIKey of [2-[(2,5-dimethylpyrazol-3-yl)methyl]cyclobutyl]methanamine?
The InChIKey is DGULICYHOAHJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-8-5-11(14(2)13-8)6-9-3-4-10(9)7-12/h5,9-10H,3-4,6-7,12H2,1-2H3.
What are the key properties of [2-[(2,5-dimethylpyrazol-3-yl)methyl]cyclobutyl]methanamine?
[2-[(2,5-dimethylpyrazol-3-yl)methyl]cyclobutyl]methanamine has a molecular weight of 193.29 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,5-dimethylpyrazol-3-yl)methyl]cyclobutyl]methanamine is sourced from PubChem (CID 81010612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).