(2S,3S)-N-(3-fluoro-4-methylphenyl)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxamide

C18H22FN3O2 — CID 128967373

IUPAC(2S,3S)-N-(3-fluoro-4-methylphenyl)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCO[C@@H]2c2cnn(C(C)C)c2)cc1F
InChIInChI=1S/C18H22FN3O2/c1-11(2)22-10-13(9-20-22)17-15(6-7-24-17)18(23)21-14-5-4-12(3)16(19)8-14/h4-5,8-11,15,17H,6-7H2,1-3H3,(H,21,23)/t15-,17+/m0/s1
InChIKeyJITODRQPZSFVQZ-DOTOQJQBSA-N
MW331.39 g/mol
LogP3.63
Rot. Bonds4

About (2S,3S)-N-(3-fluoro-4-methylphenyl)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxamide

(2S,3S)-N-(3-fluoro-4-methylphenyl)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxamide (PubChem CID 128967373) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is (2S,3S)-N-(3-fluoro-4-methylphenyl)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-(3-fluoro-4-methylphenyl)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxamide
PubChem CID128967373
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name(2S,3S)-N-(3-fluoro-4-methylphenyl)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCO[C@@H]2c2cnn(C(C)C)c2)cc1F
InChIInChI=1S/C18H22FN3O2/c1-11(2)22-10-13(9-20-22)17-15(6-7-24-17)18(23)21-14-5-4-12(3)16(19)8-14/h4-5,8-11,15,17H,6-7H2,1-3H3,(H,21,23)/t15-,17+/m0/s1
InChIKeyJITODRQPZSFVQZ-DOTOQJQBSA-N
XLogP3.63
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-(3-fluoro-4-methylphenyl)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-(3-fluoro-4-methylphenyl)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxamide (CID 128967373) is (2S,3S)-N-(3-fluoro-4-methylphenyl)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-(3-fluoro-4-methylphenyl)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-(3-fluoro-4-methylphenyl)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxamide is Cc1ccc(NC(=O)[C@H]2CCO[C@@H]2c2cnn(C(C)C)c2)cc1F.
What is the InChIKey of (2S,3S)-N-(3-fluoro-4-methylphenyl)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxamide?
The InChIKey is JITODRQPZSFVQZ-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-11(2)22-10-13(9-20-22)17-15(6-7-24-17)18(23)21-14-5-4-12(3)16(19)8-14/h4-5,8-11,15,17H,6-7H2,1-3H3,(H,21,23)/t15-,17+/m0/s1.
What are the key properties of (2S,3S)-N-(3-fluoro-4-methylphenyl)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxamide?
(2S,3S)-N-(3-fluoro-4-methylphenyl)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxamide has a molecular weight of 331.39 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-(3-fluoro-4-methylphenyl)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxamide is sourced from PubChem (CID 128967373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).