2-[3-(2-methylphenyl)pyrazol-1-yl]-N-(1-propylindazol-3-yl)acetamide

C22H23N5O — CID 46991901

IUPAC2-[3-(2-methylphenyl)pyrazol-1-yl]-N-(1-propylindazol-3-yl)acetamide
SMILESCCCn1nc(NC(=O)Cn2ccc(-c3ccccc3C)n2)c2ccccc21
InChIInChI=1S/C22H23N5O/c1-3-13-27-20-11-7-6-10-18(20)22(25-27)23-21(28)15-26-14-12-19(24-26)17-9-5-4-8-16(17)2/h4-12,14H,3,13,15H2,1-2H3,(H,23,25,28)
InChIKeyBRRULUVYWVQMBJ-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.26
Rot. Bonds6

About 2-[3-(2-methylphenyl)pyrazol-1-yl]-N-(1-propylindazol-3-yl)acetamide

2-[3-(2-methylphenyl)pyrazol-1-yl]-N-(1-propylindazol-3-yl)acetamide (PubChem CID 46991901) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[3-(2-methylphenyl)pyrazol-1-yl]-N-(1-propylindazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[3-(2-methylphenyl)pyrazol-1-yl]-N-(1-propylindazol-3-yl)acetamide
PubChem CID46991901
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name2-[3-(2-methylphenyl)pyrazol-1-yl]-N-(1-propylindazol-3-yl)acetamide
SMILESCCCn1nc(NC(=O)Cn2ccc(-c3ccccc3C)n2)c2ccccc21
InChIInChI=1S/C22H23N5O/c1-3-13-27-20-11-7-6-10-18(20)22(25-27)23-21(28)15-26-14-12-19(24-26)17-9-5-4-8-16(17)2/h4-12,14H,3,13,15H2,1-2H3,(H,23,25,28)
InChIKeyBRRULUVYWVQMBJ-UHFFFAOYSA-N
XLogP4.26
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylindazol-3-yl)-2-[3-(5-methylthiophen-2-yl)pyrazol-1-yl]acetamide
CID 46986482
methyl 1-[2-[(1-methylindazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxylate
CID 46988081
2-(3-methylindazol-1-yl)-N-(2-methylphenyl)acetamide
CID 20886113
ethane;3-methyl-1-propylindazole
CID 144653830
N-(2-methyltriazol-4-yl)-2-[3-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide
CID 46996351
N-(4-methylphenyl)-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7671928
N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-2-propoxyacetamide
CID 110928306
N-[1-(cyclopropylmethyl)indazol-3-yl]-2-imidazol-1-ylacetamide
CID 46988594
methyl 3-[(1-propylindazol-3-yl)amino]pyridine-4-carboxylate
CID 90216554
2-(3,5-dimethyl-4-pyridin-4-ylpyrazol-1-yl)-N-(1-methylindazol-3-yl)acetamide
CID 46983889
N-(1-methylindazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)indazol-1-yl]acetamide
CID 46983985
N-(1-benzylindazol-3-yl)-3-(dimethylamino)propanamide
CID 165350997

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylphenyl)pyrazol-1-yl]-N-(1-propylindazol-3-yl)acetamide?
The IUPAC name of 2-[3-(2-methylphenyl)pyrazol-1-yl]-N-(1-propylindazol-3-yl)acetamide (CID 46991901) is 2-[3-(2-methylphenyl)pyrazol-1-yl]-N-(1-propylindazol-3-yl)acetamide.
What is the SMILES notation for 2-[3-(2-methylphenyl)pyrazol-1-yl]-N-(1-propylindazol-3-yl)acetamide?
The canonical SMILES for 2-[3-(2-methylphenyl)pyrazol-1-yl]-N-(1-propylindazol-3-yl)acetamide is CCCn1nc(NC(=O)Cn2ccc(-c3ccccc3C)n2)c2ccccc21.
What is the InChIKey of 2-[3-(2-methylphenyl)pyrazol-1-yl]-N-(1-propylindazol-3-yl)acetamide?
The InChIKey is BRRULUVYWVQMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-3-13-27-20-11-7-6-10-18(20)22(25-27)23-21(28)15-26-14-12-19(24-26)17-9-5-4-8-16(17)2/h4-12,14H,3,13,15H2,1-2H3,(H,23,25,28).
What are the key properties of 2-[3-(2-methylphenyl)pyrazol-1-yl]-N-(1-propylindazol-3-yl)acetamide?
2-[3-(2-methylphenyl)pyrazol-1-yl]-N-(1-propylindazol-3-yl)acetamide has a molecular weight of 373.46 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylphenyl)pyrazol-1-yl]-N-(1-propylindazol-3-yl)acetamide is sourced from PubChem (CID 46991901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).