(2R)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)oxolane-2-carboxamide

C17H22N4O2 — CID 95279930

IUPAC(2R)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)oxolane-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@H]2CCCO2)n(-c2ccccn2)n1
InChIInChI=1S/C17H22N4O2/c1-17(2,3)13-11-15(19-16(22)12-7-6-10-23-12)21(20-13)14-8-4-5-9-18-14/h4-5,8-9,11-12H,6-7,10H2,1-3H3,(H,19,22)/t12-/m1/s1
InChIKeyORELIJGYGIOJRA-GFCCVEGCSA-N
MW314.39 g/mol
LogP2.68
Rot. Bonds3

About (2R)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)oxolane-2-carboxamide

(2R)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)oxolane-2-carboxamide (PubChem CID 95279930) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2R)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)oxolane-2-carboxamide
PubChem CID95279930
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(2R)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)oxolane-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@H]2CCCO2)n(-c2ccccn2)n1
InChIInChI=1S/C17H22N4O2/c1-17(2,3)13-11-15(19-16(22)12-7-6-10-23-12)21(20-13)14-8-4-5-9-18-14/h4-5,8-9,11-12H,6-7,10H2,1-3H3,(H,19,22)/t12-/m1/s1
InChIKeyORELIJGYGIOJRA-GFCCVEGCSA-N
XLogP2.68
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 56531345
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 56550919
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)hexa-2,4-dienamide
CID 72687232
N'-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-N-[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]oxamide
CID 97257711
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 56551244
N-[3-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 56531427
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 56550857
1-(1,3-benzodioxol-5-yl)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 56531420
N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)cyclopropanecarboxamide
CID 3966984
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-ethoxybenzamide
CID 56531789
4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoylamino]butanoic acid
CID 122089728
N-[5-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 56550790

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)oxolane-2-carboxamide?
The IUPAC name of (2R)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)oxolane-2-carboxamide (CID 95279930) is (2R)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)oxolane-2-carboxamide is CC(C)(C)c1cc(NC(=O)[C@H]2CCCO2)n(-c2ccccn2)n1.
What is the InChIKey of (2R)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)oxolane-2-carboxamide?
The InChIKey is ORELIJGYGIOJRA-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-17(2,3)13-11-15(19-16(22)12-7-6-10-23-12)21(20-13)14-8-4-5-9-18-14/h4-5,8-9,11-12H,6-7,10H2,1-3H3,(H,19,22)/t12-/m1/s1.
What are the key properties of (2R)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)oxolane-2-carboxamide?
(2R)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)oxolane-2-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)oxolane-2-carboxamide is sourced from PubChem (CID 95279930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).