1-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-3-(diethylamino)propan-2-one

C16H19Cl2N3O — CID 58514060

IUPAC1-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-3-(diethylamino)propan-2-one
SMILESCCN(CC)CC(=O)Cc1ccn(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C16H19Cl2N3O/c1-3-20(4-2)11-14(22)10-13-7-8-21(19-13)16-6-5-12(17)9-15(16)18/h5-9H,3-4,10-11H2,1-2H3
InChIKeyCIEXDHABLDVQCV-UHFFFAOYSA-N
MW340.25 g/mol
LogP3.63
Rot. Bonds7

About 1-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-3-(diethylamino)propan-2-one

1-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-3-(diethylamino)propan-2-one (PubChem CID 58514060) has the molecular formula C16H19Cl2N3O and a molecular weight of 340.25 g/mol. Its IUPAC name is 1-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-3-(diethylamino)propan-2-one.

Molecular Properties

Compound Name1-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-3-(diethylamino)propan-2-one
PubChem CID58514060
Molecular FormulaC16H19Cl2N3O
Molecular Weight340.25 g/mol
Exact Mass339.09
IUPAC Name1-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-3-(diethylamino)propan-2-one
SMILESCCN(CC)CC(=O)Cc1ccn(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C16H19Cl2N3O/c1-3-20(4-2)11-14(22)10-13-7-8-21(19-13)16-6-5-12(17)9-15(16)18/h5-9H,3-4,10-11H2,1-2H3
InChIKeyCIEXDHABLDVQCV-UHFFFAOYSA-N
XLogP3.63
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-3-(diethylamino)propan-2-one?
The IUPAC name of 1-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-3-(diethylamino)propan-2-one (CID 58514060) is 1-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-3-(diethylamino)propan-2-one.
What is the SMILES notation for 1-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-3-(diethylamino)propan-2-one?
The canonical SMILES for 1-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-3-(diethylamino)propan-2-one is CCN(CC)CC(=O)Cc1ccn(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 1-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-3-(diethylamino)propan-2-one?
The InChIKey is CIEXDHABLDVQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O/c1-3-20(4-2)11-14(22)10-13-7-8-21(19-13)16-6-5-12(17)9-15(16)18/h5-9H,3-4,10-11H2,1-2H3.
What are the key properties of 1-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-3-(diethylamino)propan-2-one?
1-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-3-(diethylamino)propan-2-one has a molecular weight of 340.25 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-3-(diethylamino)propan-2-one is sourced from PubChem (CID 58514060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).