5-[[4-(4-chloro-3-fluorophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole

C15H14ClFN4 — CID 118864478

IUPAC5-[[4-(4-chloro-3-fluorophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole
SMILESCc1cc(Cn2cc(-c3ccc(Cl)c(F)c3)cn2)n(C)n1
InChIInChI=1S/C15H14ClFN4/c1-10-5-13(20(2)19-10)9-21-8-12(7-18-21)11-3-4-14(16)15(17)6-11/h3-8H,9H2,1-2H3
InChIKeyXYGIAPGACDFNDM-UHFFFAOYSA-N
MW304.76 g/mol
LogP3.43
Rot. Bonds3

About 5-[[4-(4-chloro-3-fluorophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole

5-[[4-(4-chloro-3-fluorophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole (PubChem CID 118864478) has the molecular formula C15H14ClFN4 and a molecular weight of 304.76 g/mol. Its IUPAC name is 5-[[4-(4-chloro-3-fluorophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole.

Molecular Properties

Compound Name5-[[4-(4-chloro-3-fluorophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole
PubChem CID118864478
Molecular FormulaC15H14ClFN4
Molecular Weight304.76 g/mol
Exact Mass304.09
IUPAC Name5-[[4-(4-chloro-3-fluorophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole
SMILESCc1cc(Cn2cc(-c3ccc(Cl)c(F)c3)cn2)n(C)n1
InChIInChI=1S/C15H14ClFN4/c1-10-5-13(20(2)19-10)9-21-8-12(7-18-21)11-3-4-14(16)15(17)6-11/h3-8H,9H2,1-2H3
InChIKeyXYGIAPGACDFNDM-UHFFFAOYSA-N
XLogP3.43
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-chloro-3-fluorophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole?
The IUPAC name of 5-[[4-(4-chloro-3-fluorophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole (CID 118864478) is 5-[[4-(4-chloro-3-fluorophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole.
What is the SMILES notation for 5-[[4-(4-chloro-3-fluorophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole?
The canonical SMILES for 5-[[4-(4-chloro-3-fluorophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole is Cc1cc(Cn2cc(-c3ccc(Cl)c(F)c3)cn2)n(C)n1.
What is the InChIKey of 5-[[4-(4-chloro-3-fluorophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole?
The InChIKey is XYGIAPGACDFNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN4/c1-10-5-13(20(2)19-10)9-21-8-12(7-18-21)11-3-4-14(16)15(17)6-11/h3-8H,9H2,1-2H3.
What are the key properties of 5-[[4-(4-chloro-3-fluorophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole?
5-[[4-(4-chloro-3-fluorophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole has a molecular weight of 304.76 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-chloro-3-fluorophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole is sourced from PubChem (CID 118864478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).