1-(aminomethyl)-3-methyl-N-(2-pyrazol-1-ylethyl)cyclobutane-1-carboxamide

C12H20N4O — CID 80587901

IUPAC1-(aminomethyl)-3-methyl-N-(2-pyrazol-1-ylethyl)cyclobutane-1-carboxamide
SMILESCC1CC(CN)(C(=O)NCCn2cccn2)C1
InChIInChI=1S/C12H20N4O/c1-10-7-12(8-10,9-13)11(17)14-4-6-16-5-2-3-15-16/h2-3,5,10H,4,6-9,13H2,1H3,(H,14,17)
InChIKeyGATLZWPAOHTXRF-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.37
Rot. Bonds5

About 1-(aminomethyl)-3-methyl-N-(2-pyrazol-1-ylethyl)cyclobutane-1-carboxamide

1-(aminomethyl)-3-methyl-N-(2-pyrazol-1-ylethyl)cyclobutane-1-carboxamide (PubChem CID 80587901) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-(aminomethyl)-3-methyl-N-(2-pyrazol-1-ylethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-3-methyl-N-(2-pyrazol-1-ylethyl)cyclobutane-1-carboxamide
PubChem CID80587901
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-(aminomethyl)-3-methyl-N-(2-pyrazol-1-ylethyl)cyclobutane-1-carboxamide
SMILESCC1CC(CN)(C(=O)NCCn2cccn2)C1
InChIInChI=1S/C12H20N4O/c1-10-7-12(8-10,9-13)11(17)14-4-6-16-5-2-3-15-16/h2-3,5,10H,4,6-9,13H2,1H3,(H,14,17)
InChIKeyGATLZWPAOHTXRF-UHFFFAOYSA-N
XLogP0.37
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-carbamothioyl-3-methyl-N-(2-pyrazol-1-ylethyl)cyclobutane-1-carboxamide
CID 80589627
1-amino-3-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide
CID 112701607
1-(2-pyrazol-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62096262
1-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide
CID 114133236
1-(aminomethyl)-N-(3-ethoxypropyl)-3-methylcyclobutane-1-carboxamide
CID 80587048
1-(aminomethyl)-N-(2-pyrrol-1-ylethyl)cycloheptane-1-carboxamide
CID 106390951
1-(aminomethyl)-3-methyl-N-(3-propoxypropyl)cyclobutane-1-carboxamide
CID 82942792
1-methyl-3-(2-pyrazol-1-ylethyl)urea
CID 23548396
2-[1-(aminomethyl)cyclohexyl]-N-(2-pyrazol-1-ylethyl)acetamide
CID 104678011
1-(aminomethyl)-3-methyl-N-(2-methylbutyl)cyclobutane-1-carboxamide
CID 80587838
2-amino-2-cyclopropyl-N-(2-pyrazol-1-ylethyl)propanamide
CID 61461071
1-amino-3-methyl-N-(2-pyrrol-1-ylethyl)cyclohexane-1-carboxamide
CID 106390906

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-methyl-N-(2-pyrazol-1-ylethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-3-methyl-N-(2-pyrazol-1-ylethyl)cyclobutane-1-carboxamide (CID 80587901) is 1-(aminomethyl)-3-methyl-N-(2-pyrazol-1-ylethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-3-methyl-N-(2-pyrazol-1-ylethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-3-methyl-N-(2-pyrazol-1-ylethyl)cyclobutane-1-carboxamide is CC1CC(CN)(C(=O)NCCn2cccn2)C1.
What is the InChIKey of 1-(aminomethyl)-3-methyl-N-(2-pyrazol-1-ylethyl)cyclobutane-1-carboxamide?
The InChIKey is GATLZWPAOHTXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-10-7-12(8-10,9-13)11(17)14-4-6-16-5-2-3-15-16/h2-3,5,10H,4,6-9,13H2,1H3,(H,14,17).
What are the key properties of 1-(aminomethyl)-3-methyl-N-(2-pyrazol-1-ylethyl)cyclobutane-1-carboxamide?
1-(aminomethyl)-3-methyl-N-(2-pyrazol-1-ylethyl)cyclobutane-1-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-methyl-N-(2-pyrazol-1-ylethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80587901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).