1-(1-acetyl-5-phenylmethoxyindazol-3-yl)propan-2-one

C19H18N2O3 — CID 22241639

IUPAC1-(1-acetyl-5-phenylmethoxyindazol-3-yl)propan-2-one
SMILESCC(=O)Cc1nn(C(C)=O)c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C19H18N2O3/c1-13(22)10-18-17-11-16(24-12-15-6-4-3-5-7-15)8-9-19(17)21(20-18)14(2)23/h3-9,11H,10,12H2,1-2H3
InChIKeyNVJMIYVZQAROHV-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.41
Rot. Bonds5

About 1-(1-acetyl-5-phenylmethoxyindazol-3-yl)propan-2-one

1-(1-acetyl-5-phenylmethoxyindazol-3-yl)propan-2-one (PubChem CID 22241639) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-(1-acetyl-5-phenylmethoxyindazol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-acetyl-5-phenylmethoxyindazol-3-yl)propan-2-one
PubChem CID22241639
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name1-(1-acetyl-5-phenylmethoxyindazol-3-yl)propan-2-one
SMILESCC(=O)Cc1nn(C(C)=O)c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C19H18N2O3/c1-13(22)10-18-17-11-16(24-12-15-6-4-3-5-7-15)8-9-19(17)21(20-18)14(2)23/h3-9,11H,10,12H2,1-2H3
InChIKeyNVJMIYVZQAROHV-UHFFFAOYSA-N
XLogP3.41
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-phenylmethoxyindazole-3-carboxylic acid
CID 170357791
benzyl 2-methyl-5-phenylmethoxyindazole-3-carboxylate
CID 170357733
ethyl 4-ethyl-9-methyl-6-phenylmethoxypyrido[3,4-b]indole-3-carboxylate
CID 14531174
methyl 3-acetamido-1-methyl-5-phenylmethoxyindole-2-carboxylate
CID 4777725
methyl 6-phenylmethoxyindole-1-carboxylate
CID 11448893
1,3-dimethyl-5-phenylmethoxyindole
CID 23383486
N-(7-phenylmethoxynaphthalen-1-yl)acetamide
CID 91699937
N-[2-(1-methyl-5-phenylmethoxyindol-3-yl)ethyl]propanamide
CID 84580371
1-(4-phenylmethoxy-2-pyridinyl)ethanone
CID 151357228
9-(4-chlorobenzoyl)-6-phenylmethoxycarbazole-3-carboxylic acid
CID 141445343
2-[1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylmethoxyindol-3-yl]acetic acid
CID 19935726
methyl 1-(1-amino-2-methyl-1-oxopropan-2-yl)-6-phenylmethoxyindazole-3-carboxylate
CID 130229588

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-5-phenylmethoxyindazol-3-yl)propan-2-one?
The IUPAC name of 1-(1-acetyl-5-phenylmethoxyindazol-3-yl)propan-2-one (CID 22241639) is 1-(1-acetyl-5-phenylmethoxyindazol-3-yl)propan-2-one.
What is the SMILES notation for 1-(1-acetyl-5-phenylmethoxyindazol-3-yl)propan-2-one?
The canonical SMILES for 1-(1-acetyl-5-phenylmethoxyindazol-3-yl)propan-2-one is CC(=O)Cc1nn(C(C)=O)c2ccc(OCc3ccccc3)cc12.
What is the InChIKey of 1-(1-acetyl-5-phenylmethoxyindazol-3-yl)propan-2-one?
The InChIKey is NVJMIYVZQAROHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-13(22)10-18-17-11-16(24-12-15-6-4-3-5-7-15)8-9-19(17)21(20-18)14(2)23/h3-9,11H,10,12H2,1-2H3.
What are the key properties of 1-(1-acetyl-5-phenylmethoxyindazol-3-yl)propan-2-one?
1-(1-acetyl-5-phenylmethoxyindazol-3-yl)propan-2-one has a molecular weight of 322.36 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-5-phenylmethoxyindazol-3-yl)propan-2-one is sourced from PubChem (CID 22241639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).