1-(2,4-dichlorophenyl)-5-(5-fluorothiophen-2-yl)-4-methylpyrazole

C14H9Cl2FN2S — CID 69261528

IUPAC1-(2,4-dichlorophenyl)-5-(5-fluorothiophen-2-yl)-4-methylpyrazole
SMILESCc1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(F)s1
InChIInChI=1S/C14H9Cl2FN2S/c1-8-7-18-19(11-3-2-9(15)6-10(11)16)14(8)12-4-5-13(17)20-12/h2-7H,1H3
InChIKeyMZRPFJKJJPXCEP-UHFFFAOYSA-N
MW327.21 g/mol
LogP5.36
Rot. Bonds2

About 1-(2,4-dichlorophenyl)-5-(5-fluorothiophen-2-yl)-4-methylpyrazole

1-(2,4-dichlorophenyl)-5-(5-fluorothiophen-2-yl)-4-methylpyrazole (PubChem CID 69261528) has the molecular formula C14H9Cl2FN2S and a molecular weight of 327.21 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-5-(5-fluorothiophen-2-yl)-4-methylpyrazole.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-5-(5-fluorothiophen-2-yl)-4-methylpyrazole
PubChem CID69261528
Molecular FormulaC14H9Cl2FN2S
Molecular Weight327.21 g/mol
Exact Mass325.98
IUPAC Name1-(2,4-dichlorophenyl)-5-(5-fluorothiophen-2-yl)-4-methylpyrazole
SMILESCc1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(F)s1
InChIInChI=1S/C14H9Cl2FN2S/c1-8-7-18-19(11-3-2-9(15)6-10(11)16)14(8)12-4-5-13(17)20-12/h2-7H,1H3
InChIKeyMZRPFJKJJPXCEP-UHFFFAOYSA-N
XLogP5.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.21
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-5-(5-fluorothiophen-2-yl)-4-methylpyrazole?
The IUPAC name of 1-(2,4-dichlorophenyl)-5-(5-fluorothiophen-2-yl)-4-methylpyrazole (CID 69261528) is 1-(2,4-dichlorophenyl)-5-(5-fluorothiophen-2-yl)-4-methylpyrazole.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-5-(5-fluorothiophen-2-yl)-4-methylpyrazole?
The canonical SMILES for 1-(2,4-dichlorophenyl)-5-(5-fluorothiophen-2-yl)-4-methylpyrazole is Cc1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(F)s1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-5-(5-fluorothiophen-2-yl)-4-methylpyrazole?
The InChIKey is MZRPFJKJJPXCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FN2S/c1-8-7-18-19(11-3-2-9(15)6-10(11)16)14(8)12-4-5-13(17)20-12/h2-7H,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-5-(5-fluorothiophen-2-yl)-4-methylpyrazole?
1-(2,4-dichlorophenyl)-5-(5-fluorothiophen-2-yl)-4-methylpyrazole has a molecular weight of 327.21 g/mol, XLogP of 5.36, 2 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-(5-fluorothiophen-2-yl)-4-methylpyrazole is sourced from PubChem (CID 69261528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).