3,5-bis(1,3-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-4-methylpyrazole

C20H21FN6 — CID 19588053

IUPAC3,5-bis(1,3-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-4-methylpyrazole
SMILESCc1nn(C)cc1-c1nn(-c2ccc(F)cc2)c(-c2cn(C)nc2C)c1C
InChIInChI=1S/C20H21FN6/c1-12-19(17-10-25(4)22-13(17)2)24-27(16-8-6-15(21)7-9-16)20(12)18-11-26(5)23-14(18)3/h6-11H,1-5H3
InChIKeyHFRPKKZQKWJDDW-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.74
Rot. Bonds3

About 3,5-bis(1,3-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-4-methylpyrazole

3,5-bis(1,3-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-4-methylpyrazole (PubChem CID 19588053) has the molecular formula C20H21FN6 and a molecular weight of 364.43 g/mol. Its IUPAC name is 3,5-bis(1,3-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-4-methylpyrazole.

Molecular Properties

Compound Name3,5-bis(1,3-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-4-methylpyrazole
PubChem CID19588053
Molecular FormulaC20H21FN6
Molecular Weight364.43 g/mol
Exact Mass364.18
IUPAC Name3,5-bis(1,3-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-4-methylpyrazole
SMILESCc1nn(C)cc1-c1nn(-c2ccc(F)cc2)c(-c2cn(C)nc2C)c1C
InChIInChI=1S/C20H21FN6/c1-12-19(17-10-25(4)22-13(17)2)24-27(16-8-6-15(21)7-9-16)20(12)18-11-26(5)23-14(18)3/h6-11H,1-5H3
InChIKeyHFRPKKZQKWJDDW-UHFFFAOYSA-N
XLogP3.74
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,5-tris(4-fluorophenyl)-4-methylpyrazole
CID 19587590
3-(1,3-dimethylpyrazol-4-yl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 102801816
2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N-methylaniline
CID 175313734
5-(1,3-dimethylpyrazol-4-yl)-4-(4-fluorophenyl)-1H-pyrazol-3-amine
CID 102801648
4-(1,3-dimethylpyrazol-4-yl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-2-amine
CID 46994629
1-(6-fluoro-3-pyridinyl)-6-iodo-7-methyl-3-(2-methylindazol-4-yl)indazole
CID 166055048
1-(4-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)pyrazol-4-amine
CID 83222401
5-(1,3-dimethylpyrazol-4-yl)-2,3-dimethylimidazol-4-amine
CID 83092115
3-(1,3-dimethylpyrazol-4-yl)-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
CID 3453919
5-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzaldehyde
CID 66008484
2-(1,3-dimethylpyrazol-4-yl)-5,6-difluoro-1H-benzimidazole
CID 113338114
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-methylpyridine
CID 155401195

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(1,3-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-4-methylpyrazole?
The IUPAC name of 3,5-bis(1,3-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-4-methylpyrazole (CID 19588053) is 3,5-bis(1,3-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-4-methylpyrazole.
What is the SMILES notation for 3,5-bis(1,3-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-4-methylpyrazole?
The canonical SMILES for 3,5-bis(1,3-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-4-methylpyrazole is Cc1nn(C)cc1-c1nn(-c2ccc(F)cc2)c(-c2cn(C)nc2C)c1C.
What is the InChIKey of 3,5-bis(1,3-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-4-methylpyrazole?
The InChIKey is HFRPKKZQKWJDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6/c1-12-19(17-10-25(4)22-13(17)2)24-27(16-8-6-15(21)7-9-16)20(12)18-11-26(5)23-14(18)3/h6-11H,1-5H3.
What are the key properties of 3,5-bis(1,3-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-4-methylpyrazole?
3,5-bis(1,3-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-4-methylpyrazole has a molecular weight of 364.43 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(1,3-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-4-methylpyrazole is sourced from PubChem (CID 19588053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).