5-[(3,5-difluorophenyl)methyl]-3-(1-methylpyrazol-4-yl)-1H-indazole

C18H14F2N4 — CID 177381922

IUPAC5-[(3,5-difluorophenyl)methyl]-3-(1-methylpyrazol-4-yl)-1H-indazole
SMILESCn1cc(-c2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)cn1
InChIInChI=1S/C18H14F2N4/c1-24-10-13(9-21-24)18-16-7-11(2-3-17(16)22-23-18)4-12-5-14(19)8-15(20)6-12/h2-3,5-10H,4H2,1H3,(H,22,23)
InChIKeyWFTDXDASUJZKMW-UHFFFAOYSA-N
MW324.33 g/mol
LogP3.83
Rot. Bonds3

About 5-[(3,5-difluorophenyl)methyl]-3-(1-methylpyrazol-4-yl)-1H-indazole

5-[(3,5-difluorophenyl)methyl]-3-(1-methylpyrazol-4-yl)-1H-indazole (PubChem CID 177381922) has the molecular formula C18H14F2N4 and a molecular weight of 324.33 g/mol. Its IUPAC name is 5-[(3,5-difluorophenyl)methyl]-3-(1-methylpyrazol-4-yl)-1H-indazole.

Molecular Properties

Compound Name5-[(3,5-difluorophenyl)methyl]-3-(1-methylpyrazol-4-yl)-1H-indazole
PubChem CID177381922
Molecular FormulaC18H14F2N4
Molecular Weight324.33 g/mol
Exact Mass324.12
IUPAC Name5-[(3,5-difluorophenyl)methyl]-3-(1-methylpyrazol-4-yl)-1H-indazole
SMILESCn1cc(-c2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)cn1
InChIInChI=1S/C18H14F2N4/c1-24-10-13(9-21-24)18-16-7-11(2-3-17(16)22-23-18)4-12-5-14(19)8-15(20)6-12/h2-3,5-10H,4H2,1H3,(H,22,23)
InChIKeyWFTDXDASUJZKMW-UHFFFAOYSA-N
XLogP3.83
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-difluorophenyl)methyl]-3-(1-methylpyrazol-4-yl)-1H-indazole?
The IUPAC name of 5-[(3,5-difluorophenyl)methyl]-3-(1-methylpyrazol-4-yl)-1H-indazole (CID 177381922) is 5-[(3,5-difluorophenyl)methyl]-3-(1-methylpyrazol-4-yl)-1H-indazole.
What is the SMILES notation for 5-[(3,5-difluorophenyl)methyl]-3-(1-methylpyrazol-4-yl)-1H-indazole?
The canonical SMILES for 5-[(3,5-difluorophenyl)methyl]-3-(1-methylpyrazol-4-yl)-1H-indazole is Cn1cc(-c2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)cn1.
What is the InChIKey of 5-[(3,5-difluorophenyl)methyl]-3-(1-methylpyrazol-4-yl)-1H-indazole?
The InChIKey is WFTDXDASUJZKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4/c1-24-10-13(9-21-24)18-16-7-11(2-3-17(16)22-23-18)4-12-5-14(19)8-15(20)6-12/h2-3,5-10H,4H2,1H3,(H,22,23).
What are the key properties of 5-[(3,5-difluorophenyl)methyl]-3-(1-methylpyrazol-4-yl)-1H-indazole?
5-[(3,5-difluorophenyl)methyl]-3-(1-methylpyrazol-4-yl)-1H-indazole has a molecular weight of 324.33 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-difluorophenyl)methyl]-3-(1-methylpyrazol-4-yl)-1H-indazole is sourced from PubChem (CID 177381922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).