2-[4-(4-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]-N-(1-methylindazol-3-yl)acetamide

C22H23N5O2 — CID 46990649

IUPAC2-[4-(4-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]-N-(1-methylindazol-3-yl)acetamide
SMILESCOc1ccc(-c2c(C)nn(CC(=O)Nc3nn(C)c4ccccc34)c2C)cc1
InChIInChI=1S/C22H23N5O2/c1-14-21(16-9-11-17(29-4)12-10-16)15(2)27(24-14)13-20(28)23-22-18-7-5-6-8-19(18)26(3)25-22/h5-12H,13H2,1-4H3,(H,23,25,28)
InChIKeyKZJQPECMJDMMGV-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.70
Rot. Bonds5

About 2-[4-(4-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]-N-(1-methylindazol-3-yl)acetamide

2-[4-(4-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]-N-(1-methylindazol-3-yl)acetamide (PubChem CID 46990649) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]-N-(1-methylindazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]-N-(1-methylindazol-3-yl)acetamide
PubChem CID46990649
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name2-[4-(4-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]-N-(1-methylindazol-3-yl)acetamide
SMILESCOc1ccc(-c2c(C)nn(CC(=O)Nc3nn(C)c4ccccc34)c2C)cc1
InChIInChI=1S/C22H23N5O2/c1-14-21(16-9-11-17(29-4)12-10-16)15(2)27(24-14)13-20(28)23-22-18-7-5-6-8-19(18)26(3)25-22/h5-12H,13H2,1-4H3,(H,23,25,28)
InChIKeyKZJQPECMJDMMGV-UHFFFAOYSA-N
XLogP3.70
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]-N-(1-methylindazol-3-yl)acetamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]-N-(1-methylindazol-3-yl)acetamide (CID 46990649) is 2-[4-(4-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]-N-(1-methylindazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]-N-(1-methylindazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]-N-(1-methylindazol-3-yl)acetamide is COc1ccc(-c2c(C)nn(CC(=O)Nc3nn(C)c4ccccc34)c2C)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]-N-(1-methylindazol-3-yl)acetamide?
The InChIKey is KZJQPECMJDMMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-14-21(16-9-11-17(29-4)12-10-16)15(2)27(24-14)13-20(28)23-22-18-7-5-6-8-19(18)26(3)25-22/h5-12H,13H2,1-4H3,(H,23,25,28).
What are the key properties of 2-[4-(4-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]-N-(1-methylindazol-3-yl)acetamide?
2-[4-(4-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]-N-(1-methylindazol-3-yl)acetamide has a molecular weight of 389.46 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]-N-(1-methylindazol-3-yl)acetamide is sourced from PubChem (CID 46990649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).