1-(aminomethyl)-N-(1,3,5-trimethylpyrazol-4-yl)cyclobutane-1-carboxamide

C12H20N4O — CID 115448440

IUPAC1-(aminomethyl)-N-(1,3,5-trimethylpyrazol-4-yl)cyclobutane-1-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)C1(CN)CCC1
InChIInChI=1S/C12H20N4O/c1-8-10(9(2)16(3)15-8)14-11(17)12(7-13)5-4-6-12/h4-7,13H2,1-3H3,(H,14,17)
InChIKeyUTNCSYICXWFKFK-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.10
Rot. Bonds3

About 1-(aminomethyl)-N-(1,3,5-trimethylpyrazol-4-yl)cyclobutane-1-carboxamide

1-(aminomethyl)-N-(1,3,5-trimethylpyrazol-4-yl)cyclobutane-1-carboxamide (PubChem CID 115448440) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(1,3,5-trimethylpyrazol-4-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(1,3,5-trimethylpyrazol-4-yl)cyclobutane-1-carboxamide
PubChem CID115448440
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-(aminomethyl)-N-(1,3,5-trimethylpyrazol-4-yl)cyclobutane-1-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)C1(CN)CCC1
InChIInChI=1S/C12H20N4O/c1-8-10(9(2)16(3)15-8)14-11(17)12(7-13)5-4-6-12/h4-7,13H2,1-3H3,(H,14,17)
InChIKeyUTNCSYICXWFKFK-UHFFFAOYSA-N
XLogP1.10
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63141247
1-(aminomethyl)-N-(2,4,6-trimethylphenyl)cyclobutane-1-carboxamide
CID 80587408
1-(aminomethyl)-N-(2-methyltetrazol-5-yl)cyclobutane-1-carboxamide
CID 115448772
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 120772361
2-(2-aminoethylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43249575
4-(aminomethyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)oxane-4-carboxamide
CID 137095499
4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)oxane-4-carboxamide
CID 102804713
1-(aminomethyl)-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide
CID 107599762
1-(aminomethyl)-N-(2,4,6-trichlorophenyl)cyclobutane-1-carboxamide
CID 115447386
2-[2-aminoethyl(methyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 62687728
2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47006977
1-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 115437795

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(1,3,5-trimethylpyrazol-4-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(1,3,5-trimethylpyrazol-4-yl)cyclobutane-1-carboxamide (CID 115448440) is 1-(aminomethyl)-N-(1,3,5-trimethylpyrazol-4-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(1,3,5-trimethylpyrazol-4-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(1,3,5-trimethylpyrazol-4-yl)cyclobutane-1-carboxamide is Cc1nn(C)c(C)c1NC(=O)C1(CN)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-(1,3,5-trimethylpyrazol-4-yl)cyclobutane-1-carboxamide?
The InChIKey is UTNCSYICXWFKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-10(9(2)16(3)15-8)14-11(17)12(7-13)5-4-6-12/h4-7,13H2,1-3H3,(H,14,17).
What are the key properties of 1-(aminomethyl)-N-(1,3,5-trimethylpyrazol-4-yl)cyclobutane-1-carboxamide?
1-(aminomethyl)-N-(1,3,5-trimethylpyrazol-4-yl)cyclobutane-1-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(1,3,5-trimethylpyrazol-4-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 115448440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).