N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-ethoxycyclobutyl)acetamide

C15H25N3O2 — CID 103164854

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)Nc2cc(C(C)(C)C)[nH]n2)C1
InChIInChI=1S/C15H25N3O2/c1-5-20-11-6-10(7-11)8-14(19)16-13-9-12(17-18-13)15(2,3)4/h9-11H,5-8H2,1-4H3,(H2,16,17,18,19)
InChIKeyCOMGMDJNZAQMAP-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.85
Rot. Bonds5

About N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-ethoxycyclobutyl)acetamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-ethoxycyclobutyl)acetamide (PubChem CID 103164854) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-ethoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-ethoxycyclobutyl)acetamide
PubChem CID103164854
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)Nc2cc(C(C)(C)C)[nH]n2)C1
InChIInChI=1S/C15H25N3O2/c1-5-20-11-6-10(7-11)8-14(19)16-13-9-12(17-18-13)15(2,3)4/h9-11H,5-8H2,1-4H3,(H2,16,17,18,19)
InChIKeyCOMGMDJNZAQMAP-UHFFFAOYSA-N
XLogP2.85
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-ethoxycyclobutyl)acetyl]amino]pyridine-4-carboxylic acid
CID 103161966
N-(5-chloropyrazin-2-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 107595662
ethyl 4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-4-oxobutanoate
CID 113226291
N-(5-tert-butyl-1H-pyrazol-3-yl)heptanamide
CID 113226294
2-(3-ethoxycyclobutyl)-N-(1H-indazol-3-yl)acetamide
CID 103164819
N-(5-tert-butyl-1H-pyrazol-3-yl)hexanamide
CID 47343717
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-propoxypropanamide
CID 113433784
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
2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-ethylbutanamide
CID 104618583
2-(4-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 115589896
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-fluorophenoxy)acetamide
CID 115589865

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-ethoxycyclobutyl)acetamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-ethoxycyclobutyl)acetamide (CID 103164854) is N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-ethoxycyclobutyl)acetamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-ethoxycyclobutyl)acetamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-ethoxycyclobutyl)acetamide is CCOC1CC(CC(=O)Nc2cc(C(C)(C)C)[nH]n2)C1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-ethoxycyclobutyl)acetamide?
The InChIKey is COMGMDJNZAQMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-20-11-6-10(7-11)8-14(19)16-13-9-12(17-18-13)15(2,3)4/h9-11H,5-8H2,1-4H3,(H2,16,17,18,19).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-ethoxycyclobutyl)acetamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-ethoxycyclobutyl)acetamide has a molecular weight of 279.38 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-ethoxycyclobutyl)acetamide is sourced from PubChem (CID 103164854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).