4-(2-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-1-methylpyrazol-3-amine

C16H12Cl2FN3 — CID 66880474

IUPAC4-(2-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-1-methylpyrazol-3-amine
SMILESCn1nc(N)c(-c2ccc(F)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl2FN3/c1-22-15(9-2-4-10(17)5-3-9)14(16(20)21-22)12-7-6-11(19)8-13(12)18/h2-8H,1H3,(H2,20,21)
InChIKeyGSKPOLKDSXZCCR-UHFFFAOYSA-N
MW336.20 g/mol
LogP4.78
Rot. Bonds2

About 4-(2-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-1-methylpyrazol-3-amine

4-(2-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-1-methylpyrazol-3-amine (PubChem CID 66880474) has the molecular formula C16H12Cl2FN3 and a molecular weight of 336.20 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-1-methylpyrazol-3-amine
PubChem CID66880474
Molecular FormulaC16H12Cl2FN3
Molecular Weight336.20 g/mol
Exact Mass335.04
IUPAC Name4-(2-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-1-methylpyrazol-3-amine
SMILESCn1nc(N)c(-c2ccc(F)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl2FN3/c1-22-15(9-2-4-10(17)5-3-9)14(16(20)21-22)12-7-6-11(19)8-13(12)18/h2-8H,1H3,(H2,20,21)
InChIKeyGSKPOLKDSXZCCR-UHFFFAOYSA-N
XLogP4.78
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-1-methylpyrazol-3-amine?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-1-methylpyrazol-3-amine (CID 66880474) is 4-(2-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-1-methylpyrazol-3-amine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-1-methylpyrazol-3-amine?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-1-methylpyrazol-3-amine is Cn1nc(N)c(-c2ccc(F)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-1-methylpyrazol-3-amine?
The InChIKey is GSKPOLKDSXZCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2FN3/c1-22-15(9-2-4-10(17)5-3-9)14(16(20)21-22)12-7-6-11(19)8-13(12)18/h2-8H,1H3,(H2,20,21).
What are the key properties of 4-(2-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-1-methylpyrazol-3-amine?
4-(2-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-1-methylpyrazol-3-amine has a molecular weight of 336.20 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-1-methylpyrazol-3-amine is sourced from PubChem (CID 66880474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).