1-(2,4-dichlorophenyl)-5-[4-(3-fluoropropoxy)phenyl]-4-methylpyrazole

C19H17Cl2FN2O — CID 141144467

IUPAC1-(2,4-dichlorophenyl)-5-[4-(3-fluoropropoxy)phenyl]-4-methylpyrazole
SMILESCc1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(OCCCF)cc1
InChIInChI=1S/C19H17Cl2FN2O/c1-13-12-23-24(18-8-5-15(20)11-17(18)21)19(13)14-3-6-16(7-4-14)25-10-2-9-22/h3-8,11-12H,2,9-10H2,1H3
InChIKeyOOKFZGRTQMUACD-UHFFFAOYSA-N
MW379.26 g/mol
LogP5.89
Rot. Bonds6

About 1-(2,4-dichlorophenyl)-5-[4-(3-fluoropropoxy)phenyl]-4-methylpyrazole

1-(2,4-dichlorophenyl)-5-[4-(3-fluoropropoxy)phenyl]-4-methylpyrazole (PubChem CID 141144467) has the molecular formula C19H17Cl2FN2O and a molecular weight of 379.26 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-5-[4-(3-fluoropropoxy)phenyl]-4-methylpyrazole.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-5-[4-(3-fluoropropoxy)phenyl]-4-methylpyrazole
PubChem CID141144467
Molecular FormulaC19H17Cl2FN2O
Molecular Weight379.26 g/mol
Exact Mass378.07
IUPAC Name1-(2,4-dichlorophenyl)-5-[4-(3-fluoropropoxy)phenyl]-4-methylpyrazole
SMILESCc1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(OCCCF)cc1
InChIInChI=1S/C19H17Cl2FN2O/c1-13-12-23-24(18-8-5-15(20)11-17(18)21)19(13)14-3-6-16(7-4-14)25-10-2-9-22/h3-8,11-12H,2,9-10H2,1H3
InChIKeyOOKFZGRTQMUACD-UHFFFAOYSA-N
XLogP5.89
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.26
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-5-[4-(3-fluoropropoxy)phenyl]-4-methylpyrazole?
The IUPAC name of 1-(2,4-dichlorophenyl)-5-[4-(3-fluoropropoxy)phenyl]-4-methylpyrazole (CID 141144467) is 1-(2,4-dichlorophenyl)-5-[4-(3-fluoropropoxy)phenyl]-4-methylpyrazole.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-5-[4-(3-fluoropropoxy)phenyl]-4-methylpyrazole?
The canonical SMILES for 1-(2,4-dichlorophenyl)-5-[4-(3-fluoropropoxy)phenyl]-4-methylpyrazole is Cc1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(OCCCF)cc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-5-[4-(3-fluoropropoxy)phenyl]-4-methylpyrazole?
The InChIKey is OOKFZGRTQMUACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2FN2O/c1-13-12-23-24(18-8-5-15(20)11-17(18)21)19(13)14-3-6-16(7-4-14)25-10-2-9-22/h3-8,11-12H,2,9-10H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-5-[4-(3-fluoropropoxy)phenyl]-4-methylpyrazole?
1-(2,4-dichlorophenyl)-5-[4-(3-fluoropropoxy)phenyl]-4-methylpyrazole has a molecular weight of 379.26 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-5-[4-(3-fluoropropoxy)phenyl]-4-methylpyrazole is sourced from PubChem (CID 141144467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).