N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(3-fluorophenyl)-4-oxochromen-3-yl]acetamide

C23H18FN3O3 — CID 91233829

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(3-fluorophenyl)-4-oxochromen-3-yl]acetamide
SMILESO=C(Cc1c(-c2cccc(F)c2)oc2ccccc2c1=O)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C23H18FN3O3/c24-15-5-3-4-14(10-15)23-17(22(29)16-6-1-2-7-19(16)30-23)11-21(28)25-20-12-18(26-27-20)13-8-9-13/h1-7,10,12-13H,8-9,11H2,(H2,25,26,27,28)
InChIKeyJRVBYFMPEVPJNF-UHFFFAOYSA-N
MW403.41 g/mol
LogP4.38
Rot. Bonds5

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(3-fluorophenyl)-4-oxochromen-3-yl]acetamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(3-fluorophenyl)-4-oxochromen-3-yl]acetamide (PubChem CID 91233829) has the molecular formula C23H18FN3O3 and a molecular weight of 403.41 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(3-fluorophenyl)-4-oxochromen-3-yl]acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(3-fluorophenyl)-4-oxochromen-3-yl]acetamide
PubChem CID91233829
Molecular FormulaC23H18FN3O3
Molecular Weight403.41 g/mol
Exact Mass403.13
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(3-fluorophenyl)-4-oxochromen-3-yl]acetamide
SMILESO=C(Cc1c(-c2cccc(F)c2)oc2ccccc2c1=O)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C23H18FN3O3/c24-15-5-3-4-14(10-15)23-17(22(29)16-6-1-2-7-19(16)30-23)11-21(28)25-20-12-18(26-27-20)13-8-9-13/h1-7,10,12-13H,8-9,11H2,(H2,25,26,27,28)
InChIKeyJRVBYFMPEVPJNF-UHFFFAOYSA-N
XLogP4.38
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(3-fluorophenyl)-4-oxochromen-3-yl]acetamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(3-fluorophenyl)-4-oxochromen-3-yl]acetamide (CID 91233829) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(3-fluorophenyl)-4-oxochromen-3-yl]acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(3-fluorophenyl)-4-oxochromen-3-yl]acetamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(3-fluorophenyl)-4-oxochromen-3-yl]acetamide is O=C(Cc1c(-c2cccc(F)c2)oc2ccccc2c1=O)Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(3-fluorophenyl)-4-oxochromen-3-yl]acetamide?
The InChIKey is JRVBYFMPEVPJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O3/c24-15-5-3-4-14(10-15)23-17(22(29)16-6-1-2-7-19(16)30-23)11-21(28)25-20-12-18(26-27-20)13-8-9-13/h1-7,10,12-13H,8-9,11H2,(H2,25,26,27,28).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(3-fluorophenyl)-4-oxochromen-3-yl]acetamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(3-fluorophenyl)-4-oxochromen-3-yl]acetamide has a molecular weight of 403.41 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(3-fluorophenyl)-4-oxochromen-3-yl]acetamide is sourced from PubChem (CID 91233829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).