(2S)-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-2-carboxamide

C12H19N3O2 — CID 113342671

IUPAC(2S)-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CCCO2)n[nH]1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)9-7-10(15-14-9)13-11(16)8-5-4-6-17-8/h7-8H,4-6H2,1-3H3,(H2,13,14,15,16)/t8-/m0/s1
InChIKeyXAAJVKVUZJKEHZ-QMMMGPOBSA-N
MW237.30 g/mol
LogP1.82
Rot. Bonds2

About (2S)-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-2-carboxamide

(2S)-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-2-carboxamide (PubChem CID 113342671) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (2S)-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-2-carboxamide
PubChem CID113342671
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(2S)-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CCCO2)n[nH]1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)9-7-10(15-14-9)13-11(16)8-5-4-6-17-8/h7-8H,4-6H2,1-3H3,(H2,13,14,15,16)/t8-/m0/s1
InChIKeyXAAJVKVUZJKEHZ-QMMMGPOBSA-N
XLogP1.82
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(5-propan-2-yl-1H-pyrazol-3-yl)oxolane-2-carboxamide
CID 103872756
(2S)-N-(5-propyl-1H-pyrazol-3-yl)oxolane-2-carboxamide
CID 103873136
3-[[(2S)-oxolane-2-carbonyl]amino]-1H-pyrazole-5-carboxylic acid
CID 104855741
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(oxolan-2-yl)propanamide
CID 47067695
N-(5-propyl-1H-pyrazol-3-yl)oxane-2-carboxamide
CID 112702851
(2R)-N-[5-(2-phenylethyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide
CID 95635352
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 112696071
N-(5-tert-butyl-1H-pyrazol-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 104618514
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylpiperidine-1-carboxamide
CID 104620483
(2S)-N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide
CID 95280930
(2R)-N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide
CID 52517109
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-2-carboxamide?
The IUPAC name of (2S)-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-2-carboxamide (CID 113342671) is (2S)-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-2-carboxamide is CC(C)(C)c1cc(NC(=O)[C@@H]2CCCO2)n[nH]1.
What is the InChIKey of (2S)-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-2-carboxamide?
The InChIKey is XAAJVKVUZJKEHZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,3)9-7-10(15-14-9)13-11(16)8-5-4-6-17-8/h7-8H,4-6H2,1-3H3,(H2,13,14,15,16)/t8-/m0/s1.
What are the key properties of (2S)-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-2-carboxamide?
(2S)-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-2-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-2-carboxamide is sourced from PubChem (CID 113342671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).