N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]cyclobutanecarboxamide

C20H19N3O — CID 68999694

IUPACN-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccccc1C=Cc1n[nH]c2ccccc12)C1CCC1
InChIInChI=1S/C20H19N3O/c24-20(15-7-5-8-15)21-17-10-3-1-6-14(17)12-13-19-16-9-2-4-11-18(16)22-23-19/h1-4,6,9-13,15H,5,7-8H2,(H,21,24)(H,22,23)
InChIKeyFYQHVBCGFMKOFV-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.47
Rot. Bonds4

About N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]cyclobutanecarboxamide

N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]cyclobutanecarboxamide (PubChem CID 68999694) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]cyclobutanecarboxamide
PubChem CID68999694
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC NameN-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccccc1C=Cc1n[nH]c2ccccc12)C1CCC1
InChIInChI=1S/C20H19N3O/c24-20(15-7-5-8-15)21-17-10-3-1-6-14(17)12-13-19-16-9-2-4-11-18(16)22-23-19/h1-4,6,9-13,15H,5,7-8H2,(H,21,24)(H,22,23)
InChIKeyFYQHVBCGFMKOFV-UHFFFAOYSA-N
XLogP4.47
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]cyclobutanecarboxamide (CID 68999694) is N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]cyclobutanecarboxamide is O=C(Nc1ccccc1C=Cc1n[nH]c2ccccc12)C1CCC1.
What is the InChIKey of N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]cyclobutanecarboxamide?
The InChIKey is FYQHVBCGFMKOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c24-20(15-7-5-8-15)21-17-10-3-1-6-14(17)12-13-19-16-9-2-4-11-18(16)22-23-19/h1-4,6,9-13,15H,5,7-8H2,(H,21,24)(H,22,23).
What are the key properties of N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]cyclobutanecarboxamide?
N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]cyclobutanecarboxamide has a molecular weight of 317.39 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 68999694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).