N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-pyrazol-1-ylbenzamide

C19H21N3O3 — CID 111479009

IUPACN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-pyrazol-1-ylbenzamide
SMILESCc1cc(C(C)(O)CNC(=O)c2cccc(-n3cccn3)c2)c(C)o1
InChIInChI=1S/C19H21N3O3/c1-13-10-17(14(2)25-13)19(3,24)12-20-18(23)15-6-4-7-16(11-15)22-9-5-8-21-22/h4-11,24H,12H2,1-3H3,(H,20,23)
InChIKeyUTWMWNNSYDVEMJ-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.72
Rot. Bonds5

About N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-pyrazol-1-ylbenzamide

N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-pyrazol-1-ylbenzamide (PubChem CID 111479009) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-pyrazol-1-ylbenzamide
PubChem CID111479009
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-pyrazol-1-ylbenzamide
SMILESCc1cc(C(C)(O)CNC(=O)c2cccc(-n3cccn3)c2)c(C)o1
InChIInChI=1S/C19H21N3O3/c1-13-10-17(14(2)25-13)19(3,24)12-20-18(23)15-6-4-7-16(11-15)22-9-5-8-21-22/h4-11,24H,12H2,1-3H3,(H,20,23)
InChIKeyUTWMWNNSYDVEMJ-UHFFFAOYSA-N
XLogP2.72
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-pyrazol-1-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-hydroxybenzamide
CID 110025605
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoropyridine-4-carboxamide
CID 111479066
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide
CID 71985014
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylindole-4-carboxamide
CID 111479014
4-(dimethylamino)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide
CID 111478838
N-benzyl-3-pyrazol-1-ylbenzamide
CID 110698131
N-[2-(4-methoxyphenyl)ethyl]-3-pyrazol-1-ylbenzamide
CID 110698153
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1H-indole-7-carboxamide
CID 111478785
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 111478975
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]quinoline-4-carboxamide
CID 111478851
N-[(6-methylpyrimidin-4-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 122263530
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 111478944

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-pyrazol-1-ylbenzamide?
The IUPAC name of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-pyrazol-1-ylbenzamide (CID 111479009) is N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-pyrazol-1-ylbenzamide is Cc1cc(C(C)(O)CNC(=O)c2cccc(-n3cccn3)c2)c(C)o1.
What is the InChIKey of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-pyrazol-1-ylbenzamide?
The InChIKey is UTWMWNNSYDVEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13-10-17(14(2)25-13)19(3,24)12-20-18(23)15-6-4-7-16(11-15)22-9-5-8-21-22/h4-11,24H,12H2,1-3H3,(H,20,23).
What are the key properties of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-pyrazol-1-ylbenzamide?
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-pyrazol-1-ylbenzamide has a molecular weight of 339.40 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-pyrazol-1-ylbenzamide is sourced from PubChem (CID 111479009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).