1-(2-chlorophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one

C17H21ClN2O — CID 64783360

IUPAC1-(2-chlorophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one
SMILESCCC(CC)n1ccc(CC(=O)Cc2ccccc2Cl)n1
InChIInChI=1S/C17H21ClN2O/c1-3-15(4-2)20-10-9-14(19-20)12-16(21)11-13-7-5-6-8-17(13)18/h5-10,15H,3-4,11-12H2,1-2H3
InChIKeyDWKDMUBWWGLJRX-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.25
Rot. Bonds7

About 1-(2-chlorophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one

1-(2-chlorophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one (PubChem CID 64783360) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one
PubChem CID64783360
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name1-(2-chlorophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one
SMILESCCC(CC)n1ccc(CC(=O)Cc2ccccc2Cl)n1
InChIInChI=1S/C17H21ClN2O/c1-3-15(4-2)20-10-9-14(19-20)12-16(21)11-13-7-5-6-8-17(13)18/h5-10,15H,3-4,11-12H2,1-2H3
InChIKeyDWKDMUBWWGLJRX-UHFFFAOYSA-N
XLogP4.25
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(dimethylamino)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one
CID 79078114
4-amino-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-one
CID 116609163
1-(1-pentan-3-ylpyrazol-3-yl)octan-2-one
CID 114976201
4-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-one
CID 64783167
1-(1-pentan-3-ylpyrazol-3-yl)decan-2-one
CID 114976149
3-amino-3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one
CID 116592810
1-(cyclohexen-1-yl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one
CID 116659647
3-amino-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one
CID 116590478
1-(2-chloro-4-fluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
CID 64785269
1-(4-bromo-3-chlorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
CID 114976208
1-(4-amino-3-chlorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
CID 116581933
1-(1-pentan-3-ylpyrazol-3-yl)-5-(propan-2-ylamino)pentan-2-one
CID 116558310

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one?
The IUPAC name of 1-(2-chlorophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one (CID 64783360) is 1-(2-chlorophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one is CCC(CC)n1ccc(CC(=O)Cc2ccccc2Cl)n1.
What is the InChIKey of 1-(2-chlorophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one?
The InChIKey is DWKDMUBWWGLJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-3-15(4-2)20-10-9-14(19-20)12-16(21)11-13-7-5-6-8-17(13)18/h5-10,15H,3-4,11-12H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one?
1-(2-chlorophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one has a molecular weight of 304.82 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one is sourced from PubChem (CID 64783360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).