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

C19H15FN4O2 — CID 155916871

IUPACN-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
SMILESO=C(CC1NC(=O)c2ccccc21)Nc1cc(-c2ccc(F)cc2)[nH]n1
InChIInChI=1S/C19H15FN4O2/c20-12-7-5-11(6-8-12)15-9-17(24-23-15)22-18(25)10-16-13-3-1-2-4-14(13)19(26)21-16/h1-9,16H,10H2,(H,21,26)(H2,22,23,24,25)
InChIKeyBXQBBDNFZPFEKA-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.03
Rot. Bonds4

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

N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide (PubChem CID 155916871) has the molecular formula C19H15FN4O2 and a molecular weight of 350.35 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
PubChem CID155916871
Molecular FormulaC19H15FN4O2
Molecular Weight350.35 g/mol
Exact Mass350.12
IUPAC NameN-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
SMILESO=C(CC1NC(=O)c2ccccc21)Nc1cc(-c2ccc(F)cc2)[nH]n1
InChIInChI=1S/C19H15FN4O2/c20-12-7-5-11(6-8-12)15-9-17(24-23-15)22-18(25)10-16-13-3-1-2-4-14(13)19(26)21-16/h1-9,16H,10H2,(H,21,26)(H2,22,23,24,25)
InChIKeyBXQBBDNFZPFEKA-UHFFFAOYSA-N
XLogP3.03
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The IUPAC name of N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide (CID 155916871) is N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide is O=C(CC1NC(=O)c2ccccc21)Nc1cc(-c2ccc(F)cc2)[nH]n1.
What is the InChIKey of N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The InChIKey is BXQBBDNFZPFEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2/c20-12-7-5-11(6-8-12)15-9-17(24-23-15)22-18(25)10-16-13-3-1-2-4-14(13)19(26)21-16/h1-9,16H,10H2,(H,21,26)(H2,22,23,24,25).
What are the key properties of N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide has a molecular weight of 350.35 g/mol, XLogP of 3.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide is sourced from PubChem (CID 155916871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).