[1-(2-methylpyrazol-3-yl)cyclobutyl]methanamine

C9H15N3 — CID 82596986

IUPAC[1-(2-methylpyrazol-3-yl)cyclobutyl]methanamine
SMILESCn1nccc1C1(CN)CCC1
InChIInChI=1S/C9H15N3/c1-12-8(3-6-11-12)9(7-10)4-2-5-9/h3,6H,2,4-5,7,10H2,1H3
InChIKeyOYJACBITBWJGRV-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.80
Rot. Bonds2

About [1-(2-methylpyrazol-3-yl)cyclobutyl]methanamine

[1-(2-methylpyrazol-3-yl)cyclobutyl]methanamine (PubChem CID 82596986) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is [1-(2-methylpyrazol-3-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(2-methylpyrazol-3-yl)cyclobutyl]methanamine
PubChem CID82596986
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name[1-(2-methylpyrazol-3-yl)cyclobutyl]methanamine
SMILESCn1nccc1C1(CN)CCC1
InChIInChI=1S/C9H15N3/c1-12-8(3-6-11-12)9(7-10)4-2-5-9/h3,6H,2,4-5,7,10H2,1H3
InChIKeyOYJACBITBWJGRV-UHFFFAOYSA-N
XLogP0.80
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpyrazol-3-yl)cyclobutyl]methanamine?
The IUPAC name of [1-(2-methylpyrazol-3-yl)cyclobutyl]methanamine (CID 82596986) is [1-(2-methylpyrazol-3-yl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(2-methylpyrazol-3-yl)cyclobutyl]methanamine?
The canonical SMILES for [1-(2-methylpyrazol-3-yl)cyclobutyl]methanamine is Cn1nccc1C1(CN)CCC1.
What is the InChIKey of [1-(2-methylpyrazol-3-yl)cyclobutyl]methanamine?
The InChIKey is OYJACBITBWJGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-12-8(3-6-11-12)9(7-10)4-2-5-9/h3,6H,2,4-5,7,10H2,1H3.
What are the key properties of [1-(2-methylpyrazol-3-yl)cyclobutyl]methanamine?
[1-(2-methylpyrazol-3-yl)cyclobutyl]methanamine has a molecular weight of 165.24 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpyrazol-3-yl)cyclobutyl]methanamine is sourced from PubChem (CID 82596986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).