N-(1-tert-butylpyrazol-4-yl)oxolane-2-carboxamide

C12H19N3O2 — CID 47463711

IUPACN-(1-tert-butylpyrazol-4-yl)oxolane-2-carboxamide
SMILESCC(C)(C)n1cc(NC(=O)C2CCCO2)cn1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)15-8-9(7-13-15)14-11(16)10-5-4-6-17-10/h7-8,10H,4-6H2,1-3H3,(H,14,16)
InChIKeyPTOWPJYTNKAPPH-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.76
Rot. Bonds2

About N-(1-tert-butylpyrazol-4-yl)oxolane-2-carboxamide

N-(1-tert-butylpyrazol-4-yl)oxolane-2-carboxamide (PubChem CID 47463711) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(1-tert-butylpyrazol-4-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(1-tert-butylpyrazol-4-yl)oxolane-2-carboxamide
PubChem CID47463711
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(1-tert-butylpyrazol-4-yl)oxolane-2-carboxamide
SMILESCC(C)(C)n1cc(NC(=O)C2CCCO2)cn1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)15-8-9(7-13-15)14-11(16)10-5-4-6-17-10/h7-8,10H,4-6H2,1-3H3,(H,14,16)
InChIKeyPTOWPJYTNKAPPH-UHFFFAOYSA-N
XLogP1.76
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(1-methylpyrazol-4-yl)oxetane-2-carboxamide
CID 175500710
methyl 2-[4-[[(2S)-oxolane-2-carbonyl]amino]pyrazol-1-yl]acetate
CID 93440590
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 71993905
(2R)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 35593011
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
(2S)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 35277538
(3S)-N-(1-tert-butylpyrazol-4-yl)-4-cyclopentylmorpholine-3-carboxamide
CID 129400309
N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 56790114
N-(1-tert-butylpyrazol-4-yl)-5-oxaspiro[2.4]heptane-2-carboxamide
CID 127874853
(2R)-N-(1,2-oxazol-4-yl)oxolane-2-carboxamide
CID 130616436
5-[[(2S)-oxolane-2-carbonyl]amino]benzene-1,3-dicarboxylic acid
CID 893641
(2S)-N-(3,5-dimethylphenyl)oxolane-2-carboxamide
CID 7923565

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpyrazol-4-yl)oxolane-2-carboxamide?
The IUPAC name of N-(1-tert-butylpyrazol-4-yl)oxolane-2-carboxamide (CID 47463711) is N-(1-tert-butylpyrazol-4-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(1-tert-butylpyrazol-4-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(1-tert-butylpyrazol-4-yl)oxolane-2-carboxamide is CC(C)(C)n1cc(NC(=O)C2CCCO2)cn1.
What is the InChIKey of N-(1-tert-butylpyrazol-4-yl)oxolane-2-carboxamide?
The InChIKey is PTOWPJYTNKAPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,3)15-8-9(7-13-15)14-11(16)10-5-4-6-17-10/h7-8,10H,4-6H2,1-3H3,(H,14,16).
What are the key properties of N-(1-tert-butylpyrazol-4-yl)oxolane-2-carboxamide?
N-(1-tert-butylpyrazol-4-yl)oxolane-2-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpyrazol-4-yl)oxolane-2-carboxamide is sourced from PubChem (CID 47463711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).