N-(2-amino-4-ethoxycyclobutyl)-2,5-dimethylpyrazole-3-carboxamide

C12H20N4O2 — CID 66195288

IUPACN-(2-amino-4-ethoxycyclobutyl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCCOC1CC(N)C1NC(=O)c1cc(C)nn1C
InChIInChI=1S/C12H20N4O2/c1-4-18-10-6-8(13)11(10)14-12(17)9-5-7(2)15-16(9)3/h5,8,10-11H,4,6,13H2,1-3H3,(H,14,17)
InChIKeyXUIMYOYSTBQTNW-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.04
Rot. Bonds4

About N-(2-amino-4-ethoxycyclobutyl)-2,5-dimethylpyrazole-3-carboxamide

N-(2-amino-4-ethoxycyclobutyl)-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 66195288) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-(2-amino-4-ethoxycyclobutyl)-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-ethoxycyclobutyl)-2,5-dimethylpyrazole-3-carboxamide
PubChem CID66195288
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-(2-amino-4-ethoxycyclobutyl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCCOC1CC(N)C1NC(=O)c1cc(C)nn1C
InChIInChI=1S/C12H20N4O2/c1-4-18-10-6-8(13)11(10)14-12(17)9-5-7(2)15-16(9)3/h5,8,10-11H,4,6,13H2,1-3H3,(H,14,17)
InChIKeyXUIMYOYSTBQTNW-UHFFFAOYSA-N
XLogP-0.04
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-4-ethoxycyclobutyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104671585
N-(2-amino-4-ethoxycyclobutyl)-2,4,6-trimethylbenzamide
CID 66195481
N-(2-amino-4-ethoxycyclobutyl)-2-fluoro-5-methylbenzamide
CID 66196271
N-(2-amino-4-ethoxycyclobutyl)-2,4-dihydroxybenzamide
CID 66195669
N-(2-amino-4-ethoxycyclobutyl)-4-ethoxybenzamide
CID 66195694
N-(2-amino-4-ethoxycyclobutyl)-5-chloro-2-fluorobenzamide
CID 66195304
N-(2-amino-4-ethoxycyclobutyl)-2,5-difluorobenzamide
CID 66197031
N-(2-amino-4-ethoxycyclobutyl)-2-bromobenzamide
CID 66195102
N-(2-amino-4-ethoxycyclobutyl)-2-fluoro-4-hydroxybenzamide
CID 107677163
N-(2-amino-4-ethoxycyclobutyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 104772875
N-(2-amino-4-ethoxycyclobutyl)-5-fluoropyridine-2-carboxamide
CID 104639313
N-(2-amino-4-ethoxycyclobutyl)-4-bromo-2-hydroxybenzamide
CID 66197803

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-2,5-dimethylpyrazole-3-carboxamide (CID 66195288) is N-(2-amino-4-ethoxycyclobutyl)-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-amino-4-ethoxycyclobutyl)-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-amino-4-ethoxycyclobutyl)-2,5-dimethylpyrazole-3-carboxamide is CCOC1CC(N)C1NC(=O)c1cc(C)nn1C.
What is the InChIKey of N-(2-amino-4-ethoxycyclobutyl)-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is XUIMYOYSTBQTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-4-18-10-6-8(13)11(10)14-12(17)9-5-7(2)15-16(9)3/h5,8,10-11H,4,6,13H2,1-3H3,(H,14,17).
What are the key properties of N-(2-amino-4-ethoxycyclobutyl)-2,5-dimethylpyrazole-3-carboxamide?
N-(2-amino-4-ethoxycyclobutyl)-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 252.32 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-ethoxycyclobutyl)-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 66195288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).