2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone

C19H15ClN2O — CID 42633897

IUPAC2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)n1ccc(/C=C/c2ccccc2)n1
InChIInChI=1S/C19H15ClN2O/c20-17-9-6-16(7-10-17)14-19(23)22-13-12-18(21-22)11-8-15-4-2-1-3-5-15/h1-13H,14H2/b11-8+
InChIKeyDDJILMKVTCMZSD-DHZHZOJOSA-N
MW322.80 g/mol
LogP4.59
Rot. Bonds4

About 2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone

2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone (PubChem CID 42633897) has the molecular formula C19H15ClN2O and a molecular weight of 322.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone
PubChem CID42633897
Molecular FormulaC19H15ClN2O
Molecular Weight322.80 g/mol
Exact Mass322.09
IUPAC Name2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)n1ccc(/C=C/c2ccccc2)n1
InChIInChI=1S/C19H15ClN2O/c20-17-9-6-16(7-10-17)14-19(23)22-13-12-18(21-22)11-8-15-4-2-1-3-5-15/h1-13H,14H2/b11-8+
InChIKeyDDJILMKVTCMZSD-DHZHZOJOSA-N
XLogP4.59
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone (CID 42633897) is 2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone is O=C(Cc1ccc(Cl)cc1)n1ccc(/C=C/c2ccccc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone?
The InChIKey is DDJILMKVTCMZSD-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H15ClN2O/c20-17-9-6-16(7-10-17)14-19(23)22-13-12-18(21-22)11-8-15-4-2-1-3-5-15/h1-13H,14H2/b11-8+.
What are the key properties of 2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone?
2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone has a molecular weight of 322.80 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone is sourced from PubChem (CID 42633897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).