4-ethoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide

C22H24N4O2 — CID 91914575

IUPAC4-ethoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
SMILESCCOc1ccc(C(=O)NC2CCN(c3cc(-c4ccccc4)[nH]n3)C2)cc1
InChIInChI=1S/C22H24N4O2/c1-2-28-19-10-8-17(9-11-19)22(27)23-18-12-13-26(15-18)21-14-20(24-25-21)16-6-4-3-5-7-16/h3-11,14,18H,2,12-13,15H2,1H3,(H,23,27)(H,24,25)
InChIKeyZEULWPDZTLWTGZ-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.48
Rot. Bonds6

About 4-ethoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide

4-ethoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide (PubChem CID 91914575) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-ethoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
PubChem CID91914575
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name4-ethoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
SMILESCCOc1ccc(C(=O)NC2CCN(c3cc(-c4ccccc4)[nH]n3)C2)cc1
InChIInChI=1S/C22H24N4O2/c1-2-28-19-10-8-17(9-11-19)22(27)23-18-12-13-26(15-18)21-14-20(24-25-21)16-6-4-3-5-7-16/h3-11,14,18H,2,12-13,15H2,1H3,(H,23,27)(H,24,25)
InChIKeyZEULWPDZTLWTGZ-UHFFFAOYSA-N
XLogP3.48
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide?
The IUPAC name of 4-ethoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide (CID 91914575) is 4-ethoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-ethoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide is CCOc1ccc(C(=O)NC2CCN(c3cc(-c4ccccc4)[nH]n3)C2)cc1.
What is the InChIKey of 4-ethoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide?
The InChIKey is ZEULWPDZTLWTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-2-28-19-10-8-17(9-11-19)22(27)23-18-12-13-26(15-18)21-14-20(24-25-21)16-6-4-3-5-7-16/h3-11,14,18H,2,12-13,15H2,1H3,(H,23,27)(H,24,25).
What are the key properties of 4-ethoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide?
4-ethoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide has a molecular weight of 376.46 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 91914575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).