N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(oxolan-2-yl)propanamide

C14H23N3O2 — CID 47067695

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-3-(oxolan-2-yl)propanamide
SMILESCC(C)(C)c1cc(NC(=O)CCC2CCCO2)n[nH]1
InChIInChI=1S/C14H23N3O2/c1-14(2,3)11-9-12(17-16-11)15-13(18)7-6-10-5-4-8-19-10/h9-10H,4-8H2,1-3H3,(H2,15,16,17,18)
InChIKeyUYRLMYRYNCWXKD-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.60
Rot. Bonds4

About N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(oxolan-2-yl)propanamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(oxolan-2-yl)propanamide (PubChem CID 47067695) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-3-(oxolan-2-yl)propanamide
PubChem CID47067695
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-3-(oxolan-2-yl)propanamide
SMILESCC(C)(C)c1cc(NC(=O)CCC2CCCO2)n[nH]1
InChIInChI=1S/C14H23N3O2/c1-14(2,3)11-9-12(17-16-11)15-13(18)7-6-10-5-4-8-19-10/h9-10H,4-8H2,1-3H3,(H2,15,16,17,18)
InChIKeyUYRLMYRYNCWXKD-UHFFFAOYSA-N
XLogP2.60
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-2-carboxamide
CID 113342671
3-[(2S)-oxolan-2-yl]-N-pyridin-2-ylpropanamide
CID 51938440
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(propan-2-ylamino)propanamide
CID 104618617
N-(5-tert-butyl-1H-pyrazol-3-yl)hexanamide
CID 47343717
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloropentanamide
CID 104617741
N-(5-bromo-4-methoxy-2-pyridinyl)-3-[(2S)-oxolan-2-yl]propanamide
CID 97328983
N-(5-bromo-4-methoxy-2-pyridinyl)-3-[(2R)-oxolan-2-yl]propanamide
CID 97328984
N-(5-tert-butyl-1H-pyrazol-3-yl)heptanamide
CID 113226294
N-tert-butyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]benzamide
CID 94642296
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
N-(2,6-dichloro-4-methyl-3-pyridinyl)-3-(oxolan-2-yl)propanamide
CID 113252056

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(oxolan-2-yl)propanamide (CID 47067695) is N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(oxolan-2-yl)propanamide is CC(C)(C)c1cc(NC(=O)CCC2CCCO2)n[nH]1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(oxolan-2-yl)propanamide?
The InChIKey is UYRLMYRYNCWXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2,3)11-9-12(17-16-11)15-13(18)7-6-10-5-4-8-19-10/h9-10H,4-8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(oxolan-2-yl)propanamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(oxolan-2-yl)propanamide has a molecular weight of 265.36 g/mol, XLogP of 2.60, 4 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-(oxolan-2-yl)propanamide is sourced from PubChem (CID 47067695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).