2-[1-(aminomethyl)cyclobutyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide

C14H24N4O — CID 104618585

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)CC2(CN)CCC2)n[nH]1
InChIInChI=1S/C14H24N4O/c1-13(2,3)10-7-11(18-17-10)16-12(19)8-14(9-15)5-4-6-14/h7H,4-6,8-9,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyGSSZWMUBFGABIN-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.16
Rot. Bonds4

About 2-[1-(aminomethyl)cyclobutyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide

2-[1-(aminomethyl)cyclobutyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide (PubChem CID 104618585) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
PubChem CID104618585
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)CC2(CN)CCC2)n[nH]1
InChIInChI=1S/C14H24N4O/c1-13(2,3)10-7-11(18-17-10)16-12(19)8-14(9-15)5-4-6-14/h7H,4-6,8-9,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyGSSZWMUBFGABIN-UHFFFAOYSA-N
XLogP2.16
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)cyclopropane-1-carboxamide
CID 115976312
N-(5-amino-1H-pyrazol-3-yl)-2-(1-ethylcyclobutyl)acetamide
CID 71252981
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide
CID 113433629
2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 112686897
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(propan-2-ylamino)propanamide
CID 104618617
2-[1-(aminomethyl)cyclobutyl]-N-pyrimidin-2-ylacetamide
CID 81179251
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4,4-dimethylpentanamide
CID 104618523
2-(1-aminocyclobutyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 79853709
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylpropanamide
CID 104618640
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-3-carboxamide
CID 104618529
N-(5-tert-butyl-1H-pyrazol-3-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 104620031
2-[1-(aminomethyl)cyclohexyl]-N-(4-methyl-2-pyridinyl)acetamide
CID 104677502

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide (CID 104618585) is 2-[1-(aminomethyl)cyclobutyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide is CC(C)(C)c1cc(NC(=O)CC2(CN)CCC2)n[nH]1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is GSSZWMUBFGABIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-13(2,3)10-7-11(18-17-10)16-12(19)8-14(9-15)5-4-6-14/h7H,4-6,8-9,15H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 264.37 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 104618585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).