(2R)-N-[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]oxolane-2-carboxamide

C21H21N3O3 — CID 129381567

IUPAC(2R)-N-[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]oxolane-2-carboxamide
SMILESCOc1cccc(-c2cc(NC(=O)[C@H]3CCCO3)n(-c3ccccc3)n2)c1
InChIInChI=1S/C21H21N3O3/c1-26-17-10-5-7-15(13-17)18-14-20(22-21(25)19-11-6-12-27-19)24(23-18)16-8-3-2-4-9-16/h2-5,7-10,13-14,19H,6,11-12H2,1H3,(H,22,25)/t19-/m1/s1
InChIKeyGIFWHAHKHNTRCB-LJQANCHMSA-N
MW363.42 g/mol
LogP3.67
Rot. Bonds5

About (2R)-N-[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]oxolane-2-carboxamide

(2R)-N-[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]oxolane-2-carboxamide (PubChem CID 129381567) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is (2R)-N-[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]oxolane-2-carboxamide
PubChem CID129381567
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name(2R)-N-[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]oxolane-2-carboxamide
SMILESCOc1cccc(-c2cc(NC(=O)[C@H]3CCCO3)n(-c3ccccc3)n2)c1
InChIInChI=1S/C21H21N3O3/c1-26-17-10-5-7-15(13-17)18-14-20(22-21(25)19-11-6-12-27-19)24(23-18)16-8-3-2-4-9-16/h2-5,7-10,13-14,19H,6,11-12H2,1H3,(H,22,25)/t19-/m1/s1
InChIKeyGIFWHAHKHNTRCB-LJQANCHMSA-N
XLogP3.67
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]oxolane-2-carboxamide (CID 129381567) is (2R)-N-[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]oxolane-2-carboxamide is COc1cccc(-c2cc(NC(=O)[C@H]3CCCO3)n(-c3ccccc3)n2)c1.
What is the InChIKey of (2R)-N-[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]oxolane-2-carboxamide?
The InChIKey is GIFWHAHKHNTRCB-LJQANCHMSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-26-17-10-5-7-15(13-17)18-14-20(22-21(25)19-11-6-12-27-19)24(23-18)16-8-3-2-4-9-16/h2-5,7-10,13-14,19H,6,11-12H2,1H3,(H,22,25)/t19-/m1/s1.
What are the key properties of (2R)-N-[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]oxolane-2-carboxamide?
(2R)-N-[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]oxolane-2-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]oxolane-2-carboxamide is sourced from PubChem (CID 129381567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).