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

C23H26N4O3 — CID 91888210

IUPAC4-ethoxy-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
SMILESCCOc1ccc(C(=O)NC2CCN(c3cc(-c4ccc(OC)cc4)[nH]n3)C2)cc1
InChIInChI=1S/C23H26N4O3/c1-3-30-20-10-6-17(7-11-20)23(28)24-18-12-13-27(15-18)22-14-21(25-26-22)16-4-8-19(29-2)9-5-16/h4-11,14,18H,3,12-13,15H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyXFRWXELEKAFIRN-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.49
Rot. Bonds7

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

4-ethoxy-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide (PubChem CID 91888210) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 4-ethoxy-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
PubChem CID91888210
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name4-ethoxy-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
SMILESCCOc1ccc(C(=O)NC2CCN(c3cc(-c4ccc(OC)cc4)[nH]n3)C2)cc1
InChIInChI=1S/C23H26N4O3/c1-3-30-20-10-6-17(7-11-20)23(28)24-18-12-13-27(15-18)22-14-21(25-26-22)16-4-8-19(29-2)9-5-16/h4-11,14,18H,3,12-13,15H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyXFRWXELEKAFIRN-UHFFFAOYSA-N
XLogP3.49
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide?
The IUPAC name of 4-ethoxy-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide (CID 91888210) is 4-ethoxy-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-ethoxy-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide is CCOc1ccc(C(=O)NC2CCN(c3cc(-c4ccc(OC)cc4)[nH]n3)C2)cc1.
What is the InChIKey of 4-ethoxy-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide?
The InChIKey is XFRWXELEKAFIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-3-30-20-10-6-17(7-11-20)23(28)24-18-12-13-27(15-18)22-14-21(25-26-22)16-4-8-19(29-2)9-5-16/h4-11,14,18H,3,12-13,15H2,1-2H3,(H,24,28)(H,25,26).
What are the key properties of 4-ethoxy-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide?
4-ethoxy-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide has a molecular weight of 406.49 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 91888210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).