(2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-[(3S)-oxolan-3-yl]oxolane-3-carboxamide

C19H23N3O3 — CID 129323422

IUPAC(2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-[(3S)-oxolan-3-yl]oxolane-3-carboxamide
SMILESCc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)N[C@H]1CCOC1
InChIInChI=1S/C19H23N3O3/c1-13-4-2-3-5-16(13)22-17(6-9-20-22)18-15(8-11-25-18)19(23)21-14-7-10-24-12-14/h2-6,9,14-15,18H,7-8,10-12H2,1H3,(H,21,23)/t14-,15-,18-/m0/s1
InChIKeyABPWZYYILKUEHB-MPGHIAIKSA-N
MW341.41 g/mol
LogP2.16
Rot. Bonds4

About (2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-[(3S)-oxolan-3-yl]oxolane-3-carboxamide

(2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-[(3S)-oxolan-3-yl]oxolane-3-carboxamide (PubChem CID 129323422) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-[(3S)-oxolan-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-[(3S)-oxolan-3-yl]oxolane-3-carboxamide
PubChem CID129323422
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-[(3S)-oxolan-3-yl]oxolane-3-carboxamide
SMILESCc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)N[C@H]1CCOC1
InChIInChI=1S/C19H23N3O3/c1-13-4-2-3-5-16(13)22-17(6-9-20-22)18-15(8-11-25-18)19(23)21-14-7-10-24-12-14/h2-6,9,14-15,18H,7-8,10-12H2,1H3,(H,21,23)/t14-,15-,18-/m0/s1
InChIKeyABPWZYYILKUEHB-MPGHIAIKSA-N
XLogP2.16
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-[(3S)-oxolan-3-yl]oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-[(3S)-oxolan-3-yl]oxolane-3-carboxamide (CID 129323422) is (2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-[(3S)-oxolan-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-[(3S)-oxolan-3-yl]oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-[(3S)-oxolan-3-yl]oxolane-3-carboxamide is Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)N[C@H]1CCOC1.
What is the InChIKey of (2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-[(3S)-oxolan-3-yl]oxolane-3-carboxamide?
The InChIKey is ABPWZYYILKUEHB-MPGHIAIKSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-4-2-3-5-16(13)22-17(6-9-20-22)18-15(8-11-25-18)19(23)21-14-7-10-24-12-14/h2-6,9,14-15,18H,7-8,10-12H2,1H3,(H,21,23)/t14-,15-,18-/m0/s1.
What are the key properties of (2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-[(3S)-oxolan-3-yl]oxolane-3-carboxamide?
(2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-[(3S)-oxolan-3-yl]oxolane-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-[(3S)-oxolan-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 129323422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).