1-(4-chloropyrazol-1-yl)-3-phenylpropan-2-one

C12H11ClN2O — CID 14882325

IUPAC1-(4-chloropyrazol-1-yl)-3-phenylpropan-2-one
SMILESO=C(Cc1ccccc1)Cn1cc(Cl)cn1
InChIInChI=1S/C12H11ClN2O/c13-11-7-14-15(8-11)9-12(16)6-10-4-2-1-3-5-10/h1-5,7-8H,6,9H2
InChIKeyXYOUEGORSSZHGY-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.35
Rot. Bonds4

About 1-(4-chloropyrazol-1-yl)-3-phenylpropan-2-one

1-(4-chloropyrazol-1-yl)-3-phenylpropan-2-one (PubChem CID 14882325) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 1-(4-chloropyrazol-1-yl)-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-(4-chloropyrazol-1-yl)-3-phenylpropan-2-one
PubChem CID14882325
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name1-(4-chloropyrazol-1-yl)-3-phenylpropan-2-one
SMILESO=C(Cc1ccccc1)Cn1cc(Cl)cn1
InChIInChI=1S/C12H11ClN2O/c13-11-7-14-15(8-11)9-12(16)6-10-4-2-1-3-5-10/h1-5,7-8H,6,9H2
InChIKeyXYOUEGORSSZHGY-UHFFFAOYSA-N
XLogP2.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(4-chloropyrazol-1-yl)-1-(furan-2-yl)ethanone
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2-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]acetohydrazide
CID 105352212
1-(4-bromopyrazol-1-yl)-3-(4-fluorophenyl)propan-2-one
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1,3-diphenyl(213C)propan-2-one
CID 100945080
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-chloropyrazol-1-yl)acetamide
CID 19524916
2-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloropyrazol-1-yl)-3-phenylpropan-2-one?
The IUPAC name of 1-(4-chloropyrazol-1-yl)-3-phenylpropan-2-one (CID 14882325) is 1-(4-chloropyrazol-1-yl)-3-phenylpropan-2-one.
What is the SMILES notation for 1-(4-chloropyrazol-1-yl)-3-phenylpropan-2-one?
The canonical SMILES for 1-(4-chloropyrazol-1-yl)-3-phenylpropan-2-one is O=C(Cc1ccccc1)Cn1cc(Cl)cn1.
What is the InChIKey of 1-(4-chloropyrazol-1-yl)-3-phenylpropan-2-one?
The InChIKey is XYOUEGORSSZHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c13-11-7-14-15(8-11)9-12(16)6-10-4-2-1-3-5-10/h1-5,7-8H,6,9H2.
What are the key properties of 1-(4-chloropyrazol-1-yl)-3-phenylpropan-2-one?
1-(4-chloropyrazol-1-yl)-3-phenylpropan-2-one has a molecular weight of 234.69 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloropyrazol-1-yl)-3-phenylpropan-2-one is sourced from PubChem (CID 14882325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).