2-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine

C10H17N3 — CID 130171522

IUPAC2-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine
SMILESCC1CCC1NCc1cnn(C)c1
InChIInChI=1S/C10H17N3/c1-8-3-4-10(8)11-5-9-6-12-13(2)7-9/h6-8,10-11H,3-5H2,1-2H3
InChIKeyJFWYBPLYOUBLIJ-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.31
Rot. Bonds3

About 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine

2-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine (PubChem CID 130171522) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine
PubChem CID130171522
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine
SMILESCC1CCC1NCc1cnn(C)c1
InChIInChI=1S/C10H17N3/c1-8-3-4-10(8)11-5-9-6-12-13(2)7-9/h6-8,10-11H,3-5H2,1-2H3
InChIKeyJFWYBPLYOUBLIJ-UHFFFAOYSA-N
XLogP1.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
CID 64907975
2,4,4-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
CID 106662388
2-(chloromethyl)-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 106365328
2-tert-butyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 43673874
2-[(1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile
CID 62741701
N-[(1-methylpyrazol-4-yl)methyl]bicyclo[3.1.0]hexan-3-amine
CID 130791747
(2R,3S)-2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]oxan-3-amine
CID 129007130
N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpiperidin-4-amine
CID 115622223
N-[(1-methylpyrazol-4-yl)methyl]oxolan-3-amine
CID 63335876
tert-butyl N-[2-[(1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate
CID 104844685
N-[(1-methylpyrazol-4-yl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79544285
N-[(1-methylpyrazol-4-yl)methyl]spiro[3.5]nonan-3-amine
CID 102951612

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine (CID 130171522) is 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine is CC1CCC1NCc1cnn(C)c1.
What is the InChIKey of 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine?
The InChIKey is JFWYBPLYOUBLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-8-3-4-10(8)11-5-9-6-12-13(2)7-9/h6-8,10-11H,3-5H2,1-2H3.
What are the key properties of 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine?
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine has a molecular weight of 179.27 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 130171522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).