(2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(2-methylpropyl)oxolane-3-carboxamide

C18H22FN3O2 — CID 128967303

IUPAC(2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(2-methylpropyl)oxolane-3-carboxamide
SMILESCC(C)CNC(=O)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C18H22FN3O2/c1-12(2)9-20-18(23)14-7-8-24-17(14)13-10-21-22(11-13)16-6-4-3-5-15(16)19/h3-6,10-12,14,17H,7-9H2,1-2H3,(H,20,23)/t14-,17+/m0/s1
InChIKeyBEVJYXHATKJOMA-WMLDXEAASA-N
MW331.39 g/mol
LogP2.86
Rot. Bonds5

About (2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(2-methylpropyl)oxolane-3-carboxamide

(2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(2-methylpropyl)oxolane-3-carboxamide (PubChem CID 128967303) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is (2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(2-methylpropyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(2-methylpropyl)oxolane-3-carboxamide
PubChem CID128967303
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name(2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(2-methylpropyl)oxolane-3-carboxamide
SMILESCC(C)CNC(=O)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C18H22FN3O2/c1-12(2)9-20-18(23)14-7-8-24-17(14)13-10-21-22(11-13)16-6-4-3-5-15(16)19/h3-6,10-12,14,17H,7-9H2,1-2H3,(H,20,23)/t14-,17+/m0/s1
InChIKeyBEVJYXHATKJOMA-WMLDXEAASA-N
XLogP2.86
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(2-methylpropyl)oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(2-methylpropyl)oxolane-3-carboxamide (CID 128967303) is (2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(2-methylpropyl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(2-methylpropyl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(2-methylpropyl)oxolane-3-carboxamide is CC(C)CNC(=O)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1.
What is the InChIKey of (2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(2-methylpropyl)oxolane-3-carboxamide?
The InChIKey is BEVJYXHATKJOMA-WMLDXEAASA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-12(2)9-20-18(23)14-7-8-24-17(14)13-10-21-22(11-13)16-6-4-3-5-15(16)19/h3-6,10-12,14,17H,7-9H2,1-2H3,(H,20,23)/t14-,17+/m0/s1.
What are the key properties of (2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(2-methylpropyl)oxolane-3-carboxamide?
(2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(2-methylpropyl)oxolane-3-carboxamide has a molecular weight of 331.39 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(2-methylpropyl)oxolane-3-carboxamide is sourced from PubChem (CID 128967303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).