N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylcyclobutan-1-amine

C11H19N3 — CID 115768120

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylcyclobutan-1-amine
SMILESCc1nn(C)cc1CNC1CC(C)C1
InChIInChI=1S/C11H19N3/c1-8-4-11(5-8)12-6-10-7-14(3)13-9(10)2/h7-8,11-12H,4-6H2,1-3H3
InChIKeyYKLTZBQZUROHOI-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.62
Rot. Bonds3

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylcyclobutan-1-amine

N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylcyclobutan-1-amine (PubChem CID 115768120) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylcyclobutan-1-amine
PubChem CID115768120
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylcyclobutan-1-amine
SMILESCc1nn(C)cc1CNC1CC(C)C1
InChIInChI=1S/C11H19N3/c1-8-4-11(5-8)12-6-10-7-14(3)13-9(10)2/h7-8,11-12H,4-6H2,1-3H3
InChIKeyYKLTZBQZUROHOI-UHFFFAOYSA-N
XLogP1.62
TPSA29.85 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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylcycloheptan-1-amine
CID 112668528
N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine
CID 112668644
3-(3-bromophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 115989351
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 112705229
ethyl 4-[(1,3-dimethylpyrazol-4-yl)methylamino]cyclohexane-1-carboxylate
CID 83089059
3-methyl-N-[(1-methyltriazol-4-yl)methyl]cyclobutan-1-amine
CID 115671466
[1-[(1,3-dimethylpyrazol-4-yl)methylamino]-4-methylcyclohexyl]methanol
CID 83089475
tert-butyl 4-[(1,3-dimethylpyrazol-4-yl)methylamino]piperidine-1-carboxylate
CID 103851562
[2-[(1,3-dimethylpyrazol-4-yl)methylamino]cycloheptyl]methanol
CID 109482222
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 43754680
(1R)-1-cycloheptyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 83088566
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107416867

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylcyclobutan-1-amine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylcyclobutan-1-amine (CID 115768120) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylcyclobutan-1-amine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylcyclobutan-1-amine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylcyclobutan-1-amine is Cc1nn(C)cc1CNC1CC(C)C1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylcyclobutan-1-amine?
The InChIKey is YKLTZBQZUROHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-8-4-11(5-8)12-6-10-7-14(3)13-9(10)2/h7-8,11-12H,4-6H2,1-3H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylcyclobutan-1-amine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylcyclobutan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylcyclobutan-1-amine is sourced from PubChem (CID 115768120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).