1-(6-bromonaphthalen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one

C17H15BrN2O — CID 103023893

IUPAC1-(6-bromonaphthalen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
SMILESCn1cc(CCC(=O)c2ccc3cc(Br)ccc3c2)cn1
InChIInChI=1S/C17H15BrN2O/c1-20-11-12(10-19-20)2-7-17(21)15-4-3-14-9-16(18)6-5-13(14)8-15/h3-6,8-11H,2,7H2,1H3
InChIKeyFMRROSCAVXJBBM-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.15
Rot. Bonds4

About 1-(6-bromonaphthalen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one

1-(6-bromonaphthalen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one (PubChem CID 103023893) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
PubChem CID103023893
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name1-(6-bromonaphthalen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
SMILESCn1cc(CCC(=O)c2ccc3cc(Br)ccc3c2)cn1
InChIInChI=1S/C17H15BrN2O/c1-20-11-12(10-19-20)2-7-17(21)15-4-3-14-9-16(18)6-5-13(14)8-15/h3-6,8-11H,2,7H2,1H3
InChIKeyFMRROSCAVXJBBM-UHFFFAOYSA-N
XLogP4.15
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-chlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103023937
1-(3,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007783
1-(5-bromo-2-chlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103024071
1-(6-bromonaphthalen-2-yl)-3-phenylpropan-1-one
CID 114962828
1-(6-bromonaphthalen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 114965347
1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007220
1-(3,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103024078
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103023677
3-(1-methylpyrazol-4-yl)-1-pyridin-3-ylpropan-1-one
CID 103007248
1-(5-chlorofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 106691371
1-(3-bromophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one
CID 62613793
1-(2-amino-5-bromophenyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 82703777

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromonaphthalen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one (CID 103023893) is 1-(6-bromonaphthalen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one is Cn1cc(CCC(=O)c2ccc3cc(Br)ccc3c2)cn1.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one?
The InChIKey is FMRROSCAVXJBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-20-11-12(10-19-20)2-7-17(21)15-4-3-14-9-16(18)6-5-13(14)8-15/h3-6,8-11H,2,7H2,1H3.
What are the key properties of 1-(6-bromonaphthalen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one?
1-(6-bromonaphthalen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one has a molecular weight of 343.22 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromonaphthalen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 103023893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).