4-(3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]benzamide

C20H23N3O3 — CID 70761175

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCC(CO)Cc3ccco3)cc2)n1
InChIInChI=1S/C20H23N3O3/c1-14-10-15(2)23(22-14)18-7-5-17(6-8-18)20(25)21-12-16(13-24)11-19-4-3-9-26-19/h3-10,16,24H,11-13H2,1-2H3,(H,21,25)
InChIKeyJKTKATDOBIBVBB-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.66
Rot. Bonds7

About 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]benzamide

4-(3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]benzamide (PubChem CID 70761175) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]benzamide
PubChem CID70761175
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCC(CO)Cc3ccco3)cc2)n1
InChIInChI=1S/C20H23N3O3/c1-14-10-15(2)23(22-14)18-7-5-17(6-8-18)20(25)21-12-16(13-24)11-19-4-3-9-26-19/h3-10,16,24H,11-13H2,1-2H3,(H,21,25)
InChIKeyJKTKATDOBIBVBB-UHFFFAOYSA-N
XLogP2.66
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]benzamide (CID 70761175) is 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]benzamide is Cc1cc(C)n(-c2ccc(C(=O)NCC(CO)Cc3ccco3)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]benzamide?
The InChIKey is JKTKATDOBIBVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-10-15(2)23(22-14)18-7-5-17(6-8-18)20(25)21-12-16(13-24)11-19-4-3-9-26-19/h3-10,16,24H,11-13H2,1-2H3,(H,21,25).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]benzamide has a molecular weight of 353.42 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]benzamide is sourced from PubChem (CID 70761175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).