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

C10H17N3 — CID 82871669

IUPAC[1-[(1-methylpyrazol-3-yl)methyl]cyclobutyl]methanamine
SMILESCn1ccc(CC2(CN)CCC2)n1
InChIInChI=1S/C10H17N3/c1-13-6-3-9(12-13)7-10(8-11)4-2-5-10/h3,6H,2,4-5,7-8,11H2,1H3
InChIKeySURUUTWRMKFDRY-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.09
Rot. Bonds3

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

[1-[(1-methylpyrazol-3-yl)methyl]cyclobutyl]methanamine (PubChem CID 82871669) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is [1-[(1-methylpyrazol-3-yl)methyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[(1-methylpyrazol-3-yl)methyl]cyclobutyl]methanamine
PubChem CID82871669
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name[1-[(1-methylpyrazol-3-yl)methyl]cyclobutyl]methanamine
SMILESCn1ccc(CC2(CN)CCC2)n1
InChIInChI=1S/C10H17N3/c1-13-6-3-9(12-13)7-10(8-11)4-2-5-10/h3,6H,2,4-5,7-8,11H2,1H3
InChIKeySURUUTWRMKFDRY-UHFFFAOYSA-N
XLogP1.09
TPSA43.84 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 ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(1-methylpyrazol-3-yl)methyl]cyclooctyl]methanamine
CID 82870564
3-[[1-(bromomethyl)cyclopentyl]methyl]-1-methylpyrazole
CID 82872091
[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclopentyl]methanamine
CID 82871482
1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol
CID 82870094
2,2-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 82869007
3-[(3-ethylazetidin-3-yl)methyl]-1-methylpyrazole
CID 82882602
2-[1-(aminomethyl)cyclobutyl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106105007
[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine
CID 64778489
2-(aminomethyl)-2-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol
CID 82870793
[1-[(2-methyltriazol-4-yl)methyl]cyclopentyl]methanamine
CID 130592139
1-[(1-methylpyrazol-3-yl)methyl]cyclooctane-1-carboxylic acid
CID 82872075
[1-[(1-methyltriazol-4-yl)methyl]cyclooctyl]methanamine
CID 107057461

Frequently Asked Questions

What is the IUPAC name of [1-[(1-methylpyrazol-3-yl)methyl]cyclobutyl]methanamine?
The IUPAC name of [1-[(1-methylpyrazol-3-yl)methyl]cyclobutyl]methanamine (CID 82871669) is [1-[(1-methylpyrazol-3-yl)methyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[(1-methylpyrazol-3-yl)methyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[(1-methylpyrazol-3-yl)methyl]cyclobutyl]methanamine is Cn1ccc(CC2(CN)CCC2)n1.
What is the InChIKey of [1-[(1-methylpyrazol-3-yl)methyl]cyclobutyl]methanamine?
The InChIKey is SURUUTWRMKFDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-13-6-3-9(12-13)7-10(8-11)4-2-5-10/h3,6H,2,4-5,7-8,11H2,1H3.
What are the key properties of [1-[(1-methylpyrazol-3-yl)methyl]cyclobutyl]methanamine?
[1-[(1-methylpyrazol-3-yl)methyl]cyclobutyl]methanamine has a molecular weight of 179.27 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methylpyrazol-3-yl)methyl]cyclobutyl]methanamine is sourced from PubChem (CID 82871669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).