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

C22H26N4O2 — CID 4878531

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCC(c3ccco3)N3CCCC3)cc2)n1
InChIInChI=1S/C22H26N4O2/c1-16-14-17(2)26(24-16)19-9-7-18(8-10-19)22(27)23-15-20(21-6-5-13-28-21)25-11-3-4-12-25/h5-10,13-14,20H,3-4,11-12,15H2,1-2H3,(H,23,27)
InChIKeyAETVZYFHFHQFFY-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.65
Rot. Bonds6

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

4-(3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 4878531) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID4878531
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCC(c3ccco3)N3CCCC3)cc2)n1
InChIInChI=1S/C22H26N4O2/c1-16-14-17(2)26(24-16)19-9-7-18(8-10-19)22(27)23-15-20(21-6-5-13-28-21)25-11-3-4-12-25/h5-10,13-14,20H,3-4,11-12,15H2,1-2H3,(H,23,27)
InChIKeyAETVZYFHFHQFFY-UHFFFAOYSA-N
XLogP3.65
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide (CID 4878531) is 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide is Cc1cc(C)n(-c2ccc(C(=O)NCC(c3ccco3)N3CCCC3)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is AETVZYFHFHQFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-16-14-17(2)26(24-16)19-9-7-18(8-10-19)22(27)23-15-20(21-6-5-13-28-21)25-11-3-4-12-25/h5-10,13-14,20H,3-4,11-12,15H2,1-2H3,(H,23,27).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 378.48 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 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-yl)-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 4878531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).