3,5-bis(1,5-dimethylpyrazol-4-yl)-1-[(4-fluorophenyl)methyl]pyrazole

C20H21FN6 — CID 17026024

IUPAC3,5-bis(1,5-dimethylpyrazol-4-yl)-1-[(4-fluorophenyl)methyl]pyrazole
SMILESCc1c(-c2cc(-c3cnn(C)c3C)n(Cc3ccc(F)cc3)n2)cnn1C
InChIInChI=1S/C20H21FN6/c1-13-17(10-22-25(13)3)19-9-20(18-11-23-26(4)14(18)2)27(24-19)12-15-5-7-16(21)8-6-15/h5-11H,12H2,1-4H3
InChIKeyUQSVNMVQMSTPKK-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.49
Rot. Bonds4

About 3,5-bis(1,5-dimethylpyrazol-4-yl)-1-[(4-fluorophenyl)methyl]pyrazole

3,5-bis(1,5-dimethylpyrazol-4-yl)-1-[(4-fluorophenyl)methyl]pyrazole (PubChem CID 17026024) has the molecular formula C20H21FN6 and a molecular weight of 364.43 g/mol. Its IUPAC name is 3,5-bis(1,5-dimethylpyrazol-4-yl)-1-[(4-fluorophenyl)methyl]pyrazole.

Molecular Properties

Compound Name3,5-bis(1,5-dimethylpyrazol-4-yl)-1-[(4-fluorophenyl)methyl]pyrazole
PubChem CID17026024
Molecular FormulaC20H21FN6
Molecular Weight364.43 g/mol
Exact Mass364.18
IUPAC Name3,5-bis(1,5-dimethylpyrazol-4-yl)-1-[(4-fluorophenyl)methyl]pyrazole
SMILESCc1c(-c2cc(-c3cnn(C)c3C)n(Cc3ccc(F)cc3)n2)cnn1C
InChIInChI=1S/C20H21FN6/c1-13-17(10-22-25(13)3)19-9-20(18-11-23-26(4)14(18)2)27(24-19)12-15-5-7-16(21)8-6-15/h5-11H,12H2,1-4H3
InChIKeyUQSVNMVQMSTPKK-UHFFFAOYSA-N
XLogP3.49
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(1,5-dimethylpyrazol-4-yl)-1-[(4-fluorophenyl)methyl]pyrazole?
The IUPAC name of 3,5-bis(1,5-dimethylpyrazol-4-yl)-1-[(4-fluorophenyl)methyl]pyrazole (CID 17026024) is 3,5-bis(1,5-dimethylpyrazol-4-yl)-1-[(4-fluorophenyl)methyl]pyrazole.
What is the SMILES notation for 3,5-bis(1,5-dimethylpyrazol-4-yl)-1-[(4-fluorophenyl)methyl]pyrazole?
The canonical SMILES for 3,5-bis(1,5-dimethylpyrazol-4-yl)-1-[(4-fluorophenyl)methyl]pyrazole is Cc1c(-c2cc(-c3cnn(C)c3C)n(Cc3ccc(F)cc3)n2)cnn1C.
What is the InChIKey of 3,5-bis(1,5-dimethylpyrazol-4-yl)-1-[(4-fluorophenyl)methyl]pyrazole?
The InChIKey is UQSVNMVQMSTPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6/c1-13-17(10-22-25(13)3)19-9-20(18-11-23-26(4)14(18)2)27(24-19)12-15-5-7-16(21)8-6-15/h5-11H,12H2,1-4H3.
What are the key properties of 3,5-bis(1,5-dimethylpyrazol-4-yl)-1-[(4-fluorophenyl)methyl]pyrazole?
3,5-bis(1,5-dimethylpyrazol-4-yl)-1-[(4-fluorophenyl)methyl]pyrazole has a molecular weight of 364.43 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(1,5-dimethylpyrazol-4-yl)-1-[(4-fluorophenyl)methyl]pyrazole is sourced from PubChem (CID 17026024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).