3-(5-ethyl-1-methylpyrazol-4-yl)-N-[(3R)-oxolan-3-yl]benzamide

C17H21N3O2 — CID 125169993

IUPAC3-(5-ethyl-1-methylpyrazol-4-yl)-N-[(3R)-oxolan-3-yl]benzamide
SMILESCCc1c(-c2cccc(C(=O)N[C@@H]3CCOC3)c2)cnn1C
InChIInChI=1S/C17H21N3O2/c1-3-16-15(10-18-20(16)2)12-5-4-6-13(9-12)17(21)19-14-7-8-22-11-14/h4-6,9-10,14H,3,7-8,11H2,1-2H3,(H,19,21)/t14-/m1/s1
InChIKeyZNTZRTJMJKWWOY-CQSZACIVSA-N
MW299.37 g/mol
LogP2.17
Rot. Bonds4

About 3-(5-ethyl-1-methylpyrazol-4-yl)-N-[(3R)-oxolan-3-yl]benzamide

3-(5-ethyl-1-methylpyrazol-4-yl)-N-[(3R)-oxolan-3-yl]benzamide (PubChem CID 125169993) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-(5-ethyl-1-methylpyrazol-4-yl)-N-[(3R)-oxolan-3-yl]benzamide.

Molecular Properties

Compound Name3-(5-ethyl-1-methylpyrazol-4-yl)-N-[(3R)-oxolan-3-yl]benzamide
PubChem CID125169993
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name3-(5-ethyl-1-methylpyrazol-4-yl)-N-[(3R)-oxolan-3-yl]benzamide
SMILESCCc1c(-c2cccc(C(=O)N[C@@H]3CCOC3)c2)cnn1C
InChIInChI=1S/C17H21N3O2/c1-3-16-15(10-18-20(16)2)12-5-4-6-13(9-12)17(21)19-14-7-8-22-11-14/h4-6,9-10,14H,3,7-8,11H2,1-2H3,(H,19,21)/t14-/m1/s1
InChIKeyZNTZRTJMJKWWOY-CQSZACIVSA-N
XLogP2.17
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-1-methylpyrazol-4-yl)-N-[(3R)-oxolan-3-yl]benzamide?
The IUPAC name of 3-(5-ethyl-1-methylpyrazol-4-yl)-N-[(3R)-oxolan-3-yl]benzamide (CID 125169993) is 3-(5-ethyl-1-methylpyrazol-4-yl)-N-[(3R)-oxolan-3-yl]benzamide.
What is the SMILES notation for 3-(5-ethyl-1-methylpyrazol-4-yl)-N-[(3R)-oxolan-3-yl]benzamide?
The canonical SMILES for 3-(5-ethyl-1-methylpyrazol-4-yl)-N-[(3R)-oxolan-3-yl]benzamide is CCc1c(-c2cccc(C(=O)N[C@@H]3CCOC3)c2)cnn1C.
What is the InChIKey of 3-(5-ethyl-1-methylpyrazol-4-yl)-N-[(3R)-oxolan-3-yl]benzamide?
The InChIKey is ZNTZRTJMJKWWOY-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-3-16-15(10-18-20(16)2)12-5-4-6-13(9-12)17(21)19-14-7-8-22-11-14/h4-6,9-10,14H,3,7-8,11H2,1-2H3,(H,19,21)/t14-/m1/s1.
What are the key properties of 3-(5-ethyl-1-methylpyrazol-4-yl)-N-[(3R)-oxolan-3-yl]benzamide?
3-(5-ethyl-1-methylpyrazol-4-yl)-N-[(3R)-oxolan-3-yl]benzamide has a molecular weight of 299.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-1-methylpyrazol-4-yl)-N-[(3R)-oxolan-3-yl]benzamide is sourced from PubChem (CID 125169993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).