3-[3-(2,5-dimethylpyrazol-3-yl)-1H-indazol-6-yl]-N-ethyl-4-methylbenzamide

C22H23N5O — CID 11501649

IUPAC3-[3-(2,5-dimethylpyrazol-3-yl)-1H-indazol-6-yl]-N-ethyl-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(-c2ccc3c(-c4cc(C)nn4C)n[nH]c3c2)c1
InChIInChI=1S/C22H23N5O/c1-5-23-22(28)16-7-6-13(2)18(11-16)15-8-9-17-19(12-15)24-25-21(17)20-10-14(3)26-27(20)4/h6-12H,5H2,1-4H3,(H,23,28)(H,24,25)
InChIKeyHCMIUTZNWFKZAE-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.00
Rot. Bonds4

About 3-[3-(2,5-dimethylpyrazol-3-yl)-1H-indazol-6-yl]-N-ethyl-4-methylbenzamide

3-[3-(2,5-dimethylpyrazol-3-yl)-1H-indazol-6-yl]-N-ethyl-4-methylbenzamide (PubChem CID 11501649) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-[3-(2,5-dimethylpyrazol-3-yl)-1H-indazol-6-yl]-N-ethyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[3-(2,5-dimethylpyrazol-3-yl)-1H-indazol-6-yl]-N-ethyl-4-methylbenzamide
PubChem CID11501649
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name3-[3-(2,5-dimethylpyrazol-3-yl)-1H-indazol-6-yl]-N-ethyl-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(-c2ccc3c(-c4cc(C)nn4C)n[nH]c3c2)c1
InChIInChI=1S/C22H23N5O/c1-5-23-22(28)16-7-6-13(2)18(11-16)15-8-9-17-19(12-15)24-25-21(17)20-10-14(3)26-27(20)4/h6-12H,5H2,1-4H3,(H,23,28)(H,24,25)
InChIKeyHCMIUTZNWFKZAE-UHFFFAOYSA-N
XLogP4.00
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,5-dimethylpyrazol-3-yl)-1H-indazol-6-yl]-N-ethyl-4-methylbenzamide?
The IUPAC name of 3-[3-(2,5-dimethylpyrazol-3-yl)-1H-indazol-6-yl]-N-ethyl-4-methylbenzamide (CID 11501649) is 3-[3-(2,5-dimethylpyrazol-3-yl)-1H-indazol-6-yl]-N-ethyl-4-methylbenzamide.
What is the SMILES notation for 3-[3-(2,5-dimethylpyrazol-3-yl)-1H-indazol-6-yl]-N-ethyl-4-methylbenzamide?
The canonical SMILES for 3-[3-(2,5-dimethylpyrazol-3-yl)-1H-indazol-6-yl]-N-ethyl-4-methylbenzamide is CCNC(=O)c1ccc(C)c(-c2ccc3c(-c4cc(C)nn4C)n[nH]c3c2)c1.
What is the InChIKey of 3-[3-(2,5-dimethylpyrazol-3-yl)-1H-indazol-6-yl]-N-ethyl-4-methylbenzamide?
The InChIKey is HCMIUTZNWFKZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-5-23-22(28)16-7-6-13(2)18(11-16)15-8-9-17-19(12-15)24-25-21(17)20-10-14(3)26-27(20)4/h6-12H,5H2,1-4H3,(H,23,28)(H,24,25).
What are the key properties of 3-[3-(2,5-dimethylpyrazol-3-yl)-1H-indazol-6-yl]-N-ethyl-4-methylbenzamide?
3-[3-(2,5-dimethylpyrazol-3-yl)-1H-indazol-6-yl]-N-ethyl-4-methylbenzamide has a molecular weight of 373.46 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,5-dimethylpyrazol-3-yl)-1H-indazol-6-yl]-N-ethyl-4-methylbenzamide is sourced from PubChem (CID 11501649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).