N-[3-[(E)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]furan-2-carboxamide

C33H23N3O3 — CID 18830603

IUPACN-[3-[(E)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]furan-2-carboxamide
SMILESO=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C33H23N3O3/c37-30(25-10-6-11-28(21-25)34-33(38)31-14-7-19-39-31)18-17-27-22-36(29-12-2-1-3-13-29)35-32(27)26-16-15-23-8-4-5-9-24(23)20-26/h1-22H,(H,34,38)/b18-17+
InChIKeyIMJWHUXWQZCXGH-ISLYRVAYSA-N
MW509.57 g/mol
LogP7.43
Rot. Bonds7

About N-[3-[(E)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]furan-2-carboxamide

N-[3-[(E)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]furan-2-carboxamide (PubChem CID 18830603) has the molecular formula C33H23N3O3 and a molecular weight of 509.57 g/mol. Its IUPAC name is N-[3-[(E)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(E)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]furan-2-carboxamide
PubChem CID18830603
Molecular FormulaC33H23N3O3
Molecular Weight509.57 g/mol
Exact Mass509.17
IUPAC NameN-[3-[(E)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]furan-2-carboxamide
SMILESO=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C33H23N3O3/c37-30(25-10-6-11-28(21-25)34-33(38)31-14-7-19-39-31)18-17-27-22-36(29-12-2-1-3-13-29)35-32(27)26-16-15-23-8-4-5-9-24(23)20-26/h1-22H,(H,34,38)/b18-17+
InChIKeyIMJWHUXWQZCXGH-ISLYRVAYSA-N
XLogP7.43
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.57
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(E)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]furan-2-carboxamide (CID 18830603) is N-[3-[(E)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(E)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(E)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]furan-2-carboxamide is O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1)c1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[(E)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]furan-2-carboxamide?
The InChIKey is IMJWHUXWQZCXGH-ISLYRVAYSA-N. The full InChI is InChI=1S/C33H23N3O3/c37-30(25-10-6-11-28(21-25)34-33(38)31-14-7-19-39-31)18-17-27-22-36(29-12-2-1-3-13-29)35-32(27)26-16-15-23-8-4-5-9-24(23)20-26/h1-22H,(H,34,38)/b18-17+.
What are the key properties of N-[3-[(E)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]furan-2-carboxamide?
N-[3-[(E)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]furan-2-carboxamide has a molecular weight of 509.57 g/mol, XLogP of 7.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 18830603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).