3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-3-carboxamide

C12H20N4O2 — CID 104618529

IUPAC3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2(N)CCOC2)n[nH]1
InChIInChI=1S/C12H20N4O2/c1-11(2,3)8-6-9(16-15-8)14-10(17)12(13)4-5-18-7-12/h6H,4-5,7,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyDRFAIXLLMGNVNP-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.76
Rot. Bonds2

About 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-3-carboxamide

3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-3-carboxamide (PubChem CID 104618529) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-3-carboxamide
PubChem CID104618529
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2(N)CCOC2)n[nH]1
InChIInChI=1S/C12H20N4O2/c1-11(2,3)8-6-9(16-15-8)14-10(17)12(13)4-5-18-7-12/h6H,4-5,7,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyDRFAIXLLMGNVNP-UHFFFAOYSA-N
XLogP0.76
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-3-carboxamide (CID 104618529) is 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-3-carboxamide is CC(C)(C)c1cc(NC(=O)C2(N)CCOC2)n[nH]1.
What is the InChIKey of 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-3-carboxamide?
The InChIKey is DRFAIXLLMGNVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-11(2,3)8-6-9(16-15-8)14-10(17)12(13)4-5-18-7-12/h6H,4-5,7,13H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-3-carboxamide?
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-3-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-3-carboxamide is sourced from PubChem (CID 104618529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).