2-(1,3-benzodioxol-4-yl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide

C23H17FN4O3 — CID 18674013

IUPAC2-(1,3-benzodioxol-4-yl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide
SMILESO=C(Cc1cccc2c1OCO2)Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C23H17FN4O3/c24-17-6-4-15(5-7-17)21-20(14-8-10-25-11-9-14)23(28-27-21)26-19(29)12-16-2-1-3-18-22(16)31-13-30-18/h1-11H,12-13H2,(H2,26,27,28,29)
InChIKeyHABLQXMZQXBNOO-UHFFFAOYSA-N
MW416.41 g/mol
LogP4.19
Rot. Bonds5

About 2-(1,3-benzodioxol-4-yl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide

2-(1,3-benzodioxol-4-yl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide (PubChem CID 18674013) has the molecular formula C23H17FN4O3 and a molecular weight of 416.41 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-4-yl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-4-yl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide
PubChem CID18674013
Molecular FormulaC23H17FN4O3
Molecular Weight416.41 g/mol
Exact Mass416.13
IUPAC Name2-(1,3-benzodioxol-4-yl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide
SMILESO=C(Cc1cccc2c1OCO2)Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C23H17FN4O3/c24-17-6-4-15(5-7-17)21-20(14-8-10-25-11-9-14)23(28-27-21)26-19(29)12-16-2-1-3-18-22(16)31-13-30-18/h1-11H,12-13H2,(H2,26,27,28,29)
InChIKeyHABLQXMZQXBNOO-UHFFFAOYSA-N
XLogP4.19
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.41
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-4-yl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide?
The IUPAC name of 2-(1,3-benzodioxol-4-yl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide (CID 18674013) is 2-(1,3-benzodioxol-4-yl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-4-yl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-4-yl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide is O=C(Cc1cccc2c1OCO2)Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 2-(1,3-benzodioxol-4-yl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide?
The InChIKey is HABLQXMZQXBNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O3/c24-17-6-4-15(5-7-17)21-20(14-8-10-25-11-9-14)23(28-27-21)26-19(29)12-16-2-1-3-18-22(16)31-13-30-18/h1-11H,12-13H2,(H2,26,27,28,29).
What are the key properties of 2-(1,3-benzodioxol-4-yl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide?
2-(1,3-benzodioxol-4-yl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide has a molecular weight of 416.41 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-4-yl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 18674013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).