N-(5-amino-1H-pyrazol-3-yl)-2-(1-ethylcyclobutyl)acetamide

C11H18N4O — CID 71252981

IUPACN-(5-amino-1H-pyrazol-3-yl)-2-(1-ethylcyclobutyl)acetamide
SMILESCCC1(CC(=O)Nc2cc(N)[nH]n2)CCC1
InChIInChI=1S/C11H18N4O/c1-2-11(4-3-5-11)7-10(16)13-9-6-8(12)14-15-9/h6H,2-5,7H2,1H3,(H4,12,13,14,15,16)
InChIKeyRAWDBAJVUBKIIA-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.90
Rot. Bonds4

About N-(5-amino-1H-pyrazol-3-yl)-2-(1-ethylcyclobutyl)acetamide

N-(5-amino-1H-pyrazol-3-yl)-2-(1-ethylcyclobutyl)acetamide (PubChem CID 71252981) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(5-amino-1H-pyrazol-3-yl)-2-(1-ethylcyclobutyl)acetamide.

Molecular Properties

Compound NameN-(5-amino-1H-pyrazol-3-yl)-2-(1-ethylcyclobutyl)acetamide
PubChem CID71252981
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-(5-amino-1H-pyrazol-3-yl)-2-(1-ethylcyclobutyl)acetamide
SMILESCCC1(CC(=O)Nc2cc(N)[nH]n2)CCC1
InChIInChI=1S/C11H18N4O/c1-2-11(4-3-5-11)7-10(16)13-9-6-8(12)14-15-9/h6H,2-5,7H2,1H3,(H4,12,13,14,15,16)
InChIKeyRAWDBAJVUBKIIA-UHFFFAOYSA-N
XLogP1.90
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1H-pyrazol-3-yl)-2-(1-ethylcyclobutyl)acetamide?
The IUPAC name of N-(5-amino-1H-pyrazol-3-yl)-2-(1-ethylcyclobutyl)acetamide (CID 71252981) is N-(5-amino-1H-pyrazol-3-yl)-2-(1-ethylcyclobutyl)acetamide.
What is the SMILES notation for N-(5-amino-1H-pyrazol-3-yl)-2-(1-ethylcyclobutyl)acetamide?
The canonical SMILES for N-(5-amino-1H-pyrazol-3-yl)-2-(1-ethylcyclobutyl)acetamide is CCC1(CC(=O)Nc2cc(N)[nH]n2)CCC1.
What is the InChIKey of N-(5-amino-1H-pyrazol-3-yl)-2-(1-ethylcyclobutyl)acetamide?
The InChIKey is RAWDBAJVUBKIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-11(4-3-5-11)7-10(16)13-9-6-8(12)14-15-9/h6H,2-5,7H2,1H3,(H4,12,13,14,15,16).
What are the key properties of N-(5-amino-1H-pyrazol-3-yl)-2-(1-ethylcyclobutyl)acetamide?
N-(5-amino-1H-pyrazol-3-yl)-2-(1-ethylcyclobutyl)acetamide has a molecular weight of 222.29 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1H-pyrazol-3-yl)-2-(1-ethylcyclobutyl)acetamide is sourced from PubChem (CID 71252981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).