N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-4-oxochromene-2-carboxamide

C19H15N3O4 — CID 122244769

IUPACN-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-4-oxochromene-2-carboxamide
SMILESO=C(NCCn1cc(-c2ccoc2)cn1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C19H15N3O4/c23-16-9-18(26-17-4-2-1-3-15(16)17)19(24)20-6-7-22-11-14(10-21-22)13-5-8-25-12-13/h1-5,8-12H,6-7H2,(H,20,24)
InChIKeyHYIPQBWOAQWUPF-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.68
Rot. Bonds5

About N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-4-oxochromene-2-carboxamide

N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-4-oxochromene-2-carboxamide (PubChem CID 122244769) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-4-oxochromene-2-carboxamide
PubChem CID122244769
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC NameN-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-4-oxochromene-2-carboxamide
SMILESO=C(NCCn1cc(-c2ccoc2)cn1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C19H15N3O4/c23-16-9-18(26-17-4-2-1-3-15(16)17)19(24)20-6-7-22-11-14(10-21-22)13-5-8-25-12-13/h1-5,8-12H,6-7H2,(H,20,24)
InChIKeyHYIPQBWOAQWUPF-UHFFFAOYSA-N
XLogP2.68
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-4-oxochromene-2-carboxamide (CID 122244769) is N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-4-oxochromene-2-carboxamide is O=C(NCCn1cc(-c2ccoc2)cn1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-4-oxochromene-2-carboxamide?
The InChIKey is HYIPQBWOAQWUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c23-16-9-18(26-17-4-2-1-3-15(16)17)19(24)20-6-7-22-11-14(10-21-22)13-5-8-25-12-13/h1-5,8-12H,6-7H2,(H,20,24).
What are the key properties of N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-4-oxochromene-2-carboxamide?
N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-4-oxochromene-2-carboxamide has a molecular weight of 349.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 122244769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).