N-(5-tert-butyl-1H-pyrazol-3-yl)-3-propoxypropanamide

C13H23N3O2 — CID 113433784

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-3-propoxypropanamide
SMILESCCCOCCC(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C13H23N3O2/c1-5-7-18-8-6-12(17)14-11-9-10(15-16-11)13(2,3)4/h9H,5-8H2,1-4H3,(H2,14,15,16,17)
InChIKeyUKCARULSYMPIOS-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.46
Rot. Bonds6

About N-(5-tert-butyl-1H-pyrazol-3-yl)-3-propoxypropanamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-3-propoxypropanamide (PubChem CID 113433784) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-3-propoxypropanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-3-propoxypropanamide
PubChem CID113433784
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-3-propoxypropanamide
SMILESCCCOCCC(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C13H23N3O2/c1-5-7-18-8-6-12(17)14-11-9-10(15-16-11)13(2,3)4/h9H,5-8H2,1-4H3,(H2,14,15,16,17)
InChIKeyUKCARULSYMPIOS-UHFFFAOYSA-N
XLogP2.46
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-tert-butyl-1H-pyrazol-3-yl)hexanamide
CID 47343717
N-(5-tert-butyl-1H-pyrazol-3-yl)heptanamide
CID 113226294
ethyl 4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-4-oxobutanoate
CID 113226291
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55977589
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloropentanamide
CID 104617741
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
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(propan-2-ylamino)propanamide
CID 104618617
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide
CID 113433629
2-hydroxyethyl N-(5-tert-butyl-1H-pyrazol-3-yl)carbamate
CID 104621843
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-fluorophenoxy)acetamide
CID 115589865
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-iodophenoxy)acetamide
CID 55976047

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-3-propoxypropanamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-3-propoxypropanamide (CID 113433784) is N-(5-tert-butyl-1H-pyrazol-3-yl)-3-propoxypropanamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-3-propoxypropanamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-3-propoxypropanamide is CCCOCCC(=O)Nc1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-3-propoxypropanamide?
The InChIKey is UKCARULSYMPIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-5-7-18-8-6-12(17)14-11-9-10(15-16-11)13(2,3)4/h9H,5-8H2,1-4H3,(H2,14,15,16,17).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-3-propoxypropanamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-propoxypropanamide has a molecular weight of 253.35 g/mol, XLogP of 2.46, 6 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)-3-propoxypropanamide is sourced from PubChem (CID 113433784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).