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

C11H17N3O2 — CID 103872756

IUPAC(2S)-N-(5-propan-2-yl-1H-pyrazol-3-yl)oxolane-2-carboxamide
SMILESCC(C)c1cc(NC(=O)[C@@H]2CCCO2)n[nH]1
InChIInChI=1S/C11H17N3O2/c1-7(2)8-6-10(14-13-8)12-11(15)9-4-3-5-16-9/h6-7,9H,3-5H2,1-2H3,(H2,12,13,14,15)/t9-/m0/s1
InChIKeyKUSPMQHUWUCFAF-VIFPVBQESA-N
MW223.28 g/mol
LogP1.65
Rot. Bonds3

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

(2S)-N-(5-propan-2-yl-1H-pyrazol-3-yl)oxolane-2-carboxamide (PubChem CID 103872756) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is (2S)-N-(5-propan-2-yl-1H-pyrazol-3-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-propan-2-yl-1H-pyrazol-3-yl)oxolane-2-carboxamide
PubChem CID103872756
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name(2S)-N-(5-propan-2-yl-1H-pyrazol-3-yl)oxolane-2-carboxamide
SMILESCC(C)c1cc(NC(=O)[C@@H]2CCCO2)n[nH]1
InChIInChI=1S/C11H17N3O2/c1-7(2)8-6-10(14-13-8)12-11(15)9-4-3-5-16-9/h6-7,9H,3-5H2,1-2H3,(H2,12,13,14,15)/t9-/m0/s1
InChIKeyKUSPMQHUWUCFAF-VIFPVBQESA-N
XLogP1.65
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.65
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)-oxolane-2-carbonyl]amino]-1H-pyrazole-5-carboxylic acid
CID 104855741
N-(5-propan-2-yl-1H-pyrazol-3-yl)cyclooctanecarboxamide
CID 115663305
(2S)-N-(5-propyl-1H-pyrazol-3-yl)oxolane-2-carboxamide
CID 103873136
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
2-cyclobutyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 103710671
(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
[3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 68523419
N-(1,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide
CID 56725172
N-(2-chloro-5-methyl-3-pyridinyl)oxolane-2-carboxamide
CID 102979589

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-propan-2-yl-1H-pyrazol-3-yl)oxolane-2-carboxamide?
The IUPAC name of (2S)-N-(5-propan-2-yl-1H-pyrazol-3-yl)oxolane-2-carboxamide (CID 103872756) is (2S)-N-(5-propan-2-yl-1H-pyrazol-3-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-(5-propan-2-yl-1H-pyrazol-3-yl)oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-(5-propan-2-yl-1H-pyrazol-3-yl)oxolane-2-carboxamide is CC(C)c1cc(NC(=O)[C@@H]2CCCO2)n[nH]1.
What is the InChIKey of (2S)-N-(5-propan-2-yl-1H-pyrazol-3-yl)oxolane-2-carboxamide?
The InChIKey is KUSPMQHUWUCFAF-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7(2)8-6-10(14-13-8)12-11(15)9-4-3-5-16-9/h6-7,9H,3-5H2,1-2H3,(H2,12,13,14,15)/t9-/m0/s1.
What are the key properties of (2S)-N-(5-propan-2-yl-1H-pyrazol-3-yl)oxolane-2-carboxamide?
(2S)-N-(5-propan-2-yl-1H-pyrazol-3-yl)oxolane-2-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-propan-2-yl-1H-pyrazol-3-yl)oxolane-2-carboxamide is sourced from PubChem (CID 103872756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).