(4-bromo-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone

C17H15BrN2O — CID 114639812

IUPAC(4-bromo-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone
SMILESCC(C)n1ncc(Br)c1C(=O)c1cccc2ccccc12
InChIInChI=1S/C17H15BrN2O/c1-11(2)20-16(15(18)10-19-20)17(21)14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,1-2H3
InChIKeyOWHRETAMVLJALD-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.61
Rot. Bonds3

About (4-bromo-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone

(4-bromo-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone (PubChem CID 114639812) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is (4-bromo-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone
PubChem CID114639812
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone
SMILESCC(C)n1ncc(Br)c1C(=O)c1cccc2ccccc12
InChIInChI=1S/C17H15BrN2O/c1-11(2)20-16(15(18)10-19-20)17(21)14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,1-2H3
InChIKeyOWHRETAMVLJALD-UHFFFAOYSA-N
XLogP4.61
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone
CID 114639808
(4-bromo-1-propan-2-ylpyrazol-5-yl)-quinolin-2-ylmethanone
CID 114640099
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 105130816
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105130889
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanone
CID 114639043
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,5-dibromophenyl)methanone
CID 107977405
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107967808
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methanone
CID 114641680
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanone
CID 115805217
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2,5-difluorophenyl)methanone
CID 115805489
3-amino-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)butan-1-one
CID 114668506
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4,5-dibromothiophen-2-yl)methanone
CID 115805300

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone?
The IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone (CID 114639812) is (4-bromo-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone.
What is the SMILES notation for (4-bromo-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone?
The canonical SMILES for (4-bromo-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone is CC(C)n1ncc(Br)c1C(=O)c1cccc2ccccc12.
What is the InChIKey of (4-bromo-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone?
The InChIKey is OWHRETAMVLJALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-11(2)20-16(15(18)10-19-20)17(21)14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,1-2H3.
What are the key properties of (4-bromo-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone?
(4-bromo-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone has a molecular weight of 343.22 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone is sourced from PubChem (CID 114639812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).