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

C22H21N7 — CID 164612602

IUPAC3-[3-(1-methylpyrazol-4-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole
SMILESCC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(-c4cnn(C)c4)c3)c2c1
InChIInChI=1S/C22H21N7/c1-14(2)29-13-23-27-22(29)17-7-8-20-19(10-17)21(26-25-20)16-6-4-5-15(9-16)18-11-24-28(3)12-18/h4-14H,1-3H3,(H,25,26)
InChIKeyYJYYPFKEIKWOFZ-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.47
Rot. Bonds4

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

3-[3-(1-methylpyrazol-4-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole (PubChem CID 164612602) has the molecular formula C22H21N7 and a molecular weight of 383.46 g/mol. Its IUPAC name is 3-[3-(1-methylpyrazol-4-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole.

Molecular Properties

Compound Name3-[3-(1-methylpyrazol-4-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole
PubChem CID164612602
Molecular FormulaC22H21N7
Molecular Weight383.46 g/mol
Exact Mass383.19
IUPAC Name3-[3-(1-methylpyrazol-4-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole
SMILESCC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(-c4cnn(C)c4)c3)c2c1
InChIInChI=1S/C22H21N7/c1-14(2)29-13-23-27-22(29)17-7-8-20-19(10-17)21(26-25-20)16-6-4-5-15(9-16)18-11-24-28(3)12-18/h4-14H,1-3H3,(H,25,26)
InChIKeyYJYYPFKEIKWOFZ-UHFFFAOYSA-N
XLogP4.47
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methylpyrazol-4-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole?
The IUPAC name of 3-[3-(1-methylpyrazol-4-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole (CID 164612602) is 3-[3-(1-methylpyrazol-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-methylpyrazol-4-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole?
The canonical SMILES for 3-[3-(1-methylpyrazol-4-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole is CC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(-c4cnn(C)c4)c3)c2c1.
What is the InChIKey of 3-[3-(1-methylpyrazol-4-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole?
The InChIKey is YJYYPFKEIKWOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7/c1-14(2)29-13-23-27-22(29)17-7-8-20-19(10-17)21(26-25-20)16-6-4-5-15(9-16)18-11-24-28(3)12-18/h4-14H,1-3H3,(H,25,26).
What are the key properties of 3-[3-(1-methylpyrazol-4-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole?
3-[3-(1-methylpyrazol-4-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole has a molecular weight of 383.46 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methylpyrazol-4-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole is sourced from PubChem (CID 164612602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).