6-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-7H-indolizin-8-one

C20H19N3O2 — CID 162134959

IUPAC6-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-7H-indolizin-8-one
SMILESCOCCn1cc(-c2ccc(C3=Cn4cccc4C(=O)C3)cc2)cn1
InChIInChI=1S/C20H19N3O2/c1-25-10-9-23-14-18(12-21-23)16-6-4-15(5-7-16)17-11-20(24)19-3-2-8-22(19)13-17/h2-8,12-14H,9-11H2,1H3
InChIKeyZJDPDHWPNNXSDF-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.58
Rot. Bonds5

About 6-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-7H-indolizin-8-one

6-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-7H-indolizin-8-one (PubChem CID 162134959) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 6-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-7H-indolizin-8-one.

Molecular Properties

Compound Name6-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-7H-indolizin-8-one
PubChem CID162134959
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name6-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-7H-indolizin-8-one
SMILESCOCCn1cc(-c2ccc(C3=Cn4cccc4C(=O)C3)cc2)cn1
InChIInChI=1S/C20H19N3O2/c1-25-10-9-23-14-18(12-21-23)16-6-4-15(5-7-16)17-11-20(24)19-3-2-8-22(19)13-17/h2-8,12-14H,9-11H2,1H3
InChIKeyZJDPDHWPNNXSDF-UHFFFAOYSA-N
XLogP3.58
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazol-1-yl]ethanol
CID 172649303
1-(2-methoxyethyl)-4-[4-(4-methoxyphenoxy)phenyl]pyrazole
CID 166333732
1-(3-methoxypropyl)-4-(3-phenylphenyl)pyrazole
CID 166333734
N-[3-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]acetamide
CID 154687718
1-(2-methoxyethyl)-4-(1-phenylpyrazol-3-yl)pyrazole
CID 150987741
4-cyclopropyl-1-(2-methoxyethyl)pyrazole
CID 170573805
2-[4-[4-(methoxymethyl)phenyl]pyrazol-1-yl]ethanamine
CID 164607189
1-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-2,4-dione
CID 79517733
(2R,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]oxolan-3-amine
CID 167823864
2-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 54878147
4-fluoro-2-[1-(2-methoxyethyl)pyrazol-4-yl]aniline
CID 171116020
propan-2-yl (3S)-4-acetyl-7-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methyl-2,3-dihydroquinoxaline-1-carboxylate
CID 118079629

Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-7H-indolizin-8-one?
The IUPAC name of 6-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-7H-indolizin-8-one (CID 162134959) is 6-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-7H-indolizin-8-one.
What is the SMILES notation for 6-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-7H-indolizin-8-one?
The canonical SMILES for 6-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-7H-indolizin-8-one is COCCn1cc(-c2ccc(C3=Cn4cccc4C(=O)C3)cc2)cn1.
What is the InChIKey of 6-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-7H-indolizin-8-one?
The InChIKey is ZJDPDHWPNNXSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-25-10-9-23-14-18(12-21-23)16-6-4-15(5-7-16)17-11-20(24)19-3-2-8-22(19)13-17/h2-8,12-14H,9-11H2,1H3.
What are the key properties of 6-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-7H-indolizin-8-one?
6-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-7H-indolizin-8-one has a molecular weight of 333.39 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-7H-indolizin-8-one is sourced from PubChem (CID 162134959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).