3-[3-[1-(methoxymethyl)pyrazol-4-yl]phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole

C23H23N7O — CID 164624119

IUPAC3-[3-[1-(methoxymethyl)pyrazol-4-yl]phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole
SMILESCOCn1cc(-c2cccc(-c3n[nH]c4ccc(-c5nncn5C(C)C)cc34)c2)cn1
InChIInChI=1S/C23H23N7O/c1-15(2)30-13-24-28-23(30)18-7-8-21-20(10-18)22(27-26-21)17-6-4-5-16(9-17)19-11-25-29(12-19)14-31-3/h4-13,15H,14H2,1-3H3,(H,26,27)
InChIKeyAOSNBGSBYQTXCR-UHFFFAOYSA-N
MW413.49 g/mol
LogP4.54
Rot. Bonds6

About 3-[3-[1-(methoxymethyl)pyrazol-4-yl]phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole

3-[3-[1-(methoxymethyl)pyrazol-4-yl]phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole (PubChem CID 164624119) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is 3-[3-[1-(methoxymethyl)pyrazol-4-yl]phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole.

Molecular Properties

Compound Name3-[3-[1-(methoxymethyl)pyrazol-4-yl]phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole
PubChem CID164624119
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Name3-[3-[1-(methoxymethyl)pyrazol-4-yl]phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole
SMILESCOCn1cc(-c2cccc(-c3n[nH]c4ccc(-c5nncn5C(C)C)cc34)c2)cn1
InChIInChI=1S/C23H23N7O/c1-15(2)30-13-24-28-23(30)18-7-8-21-20(10-18)22(27-26-21)17-6-4-5-16(9-17)19-11-25-29(12-19)14-31-3/h4-13,15H,14H2,1-3H3,(H,26,27)
InChIKeyAOSNBGSBYQTXCR-UHFFFAOYSA-N
XLogP4.54
TPSA86.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(methoxymethyl)pyrazol-4-yl]phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole?
The IUPAC name of 3-[3-[1-(methoxymethyl)pyrazol-4-yl]phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole (CID 164624119) is 3-[3-[1-(methoxymethyl)pyrazol-4-yl]phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole.
What is the SMILES notation for 3-[3-[1-(methoxymethyl)pyrazol-4-yl]phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole?
The canonical SMILES for 3-[3-[1-(methoxymethyl)pyrazol-4-yl]phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole is COCn1cc(-c2cccc(-c3n[nH]c4ccc(-c5nncn5C(C)C)cc34)c2)cn1.
What is the InChIKey of 3-[3-[1-(methoxymethyl)pyrazol-4-yl]phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole?
The InChIKey is AOSNBGSBYQTXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c1-15(2)30-13-24-28-23(30)18-7-8-21-20(10-18)22(27-26-21)17-6-4-5-16(9-17)19-11-25-29(12-19)14-31-3/h4-13,15H,14H2,1-3H3,(H,26,27).
What are the key properties of 3-[3-[1-(methoxymethyl)pyrazol-4-yl]phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole?
3-[3-[1-(methoxymethyl)pyrazol-4-yl]phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole has a molecular weight of 413.49 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(methoxymethyl)pyrazol-4-yl]phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole is sourced from PubChem (CID 164624119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).