N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-(2,4-dimethylphenoxy)propanamide

C22H22ClN5O2 — CID 23379996

IUPACN-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-(2,4-dimethylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccccc2-c2nc3c(Cl)c(C)[nH]n3n2)c(C)c1
InChIInChI=1S/C22H22ClN5O2/c1-12-9-10-18(13(2)11-12)30-15(4)22(29)24-17-8-6-5-7-16(17)20-25-21-19(23)14(3)26-28(21)27-20/h5-11,15,26H,1-4H3,(H,24,29)
InChIKeyKGTVVGFTPUGZDF-UHFFFAOYSA-N
MW423.90 g/mol
LogP4.71
Rot. Bonds5

About N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-(2,4-dimethylphenoxy)propanamide

N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-(2,4-dimethylphenoxy)propanamide (PubChem CID 23379996) has the molecular formula C22H22ClN5O2 and a molecular weight of 423.90 g/mol. Its IUPAC name is N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-(2,4-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-(2,4-dimethylphenoxy)propanamide
PubChem CID23379996
Molecular FormulaC22H22ClN5O2
Molecular Weight423.90 g/mol
Exact Mass423.15
IUPAC NameN-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-(2,4-dimethylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccccc2-c2nc3c(Cl)c(C)[nH]n3n2)c(C)c1
InChIInChI=1S/C22H22ClN5O2/c1-12-9-10-18(13(2)11-12)30-15(4)22(29)24-17-8-6-5-7-16(17)20-25-21-19(23)14(3)26-28(21)27-20/h5-11,15,26H,1-4H3,(H,24,29)
InChIKeyKGTVVGFTPUGZDF-UHFFFAOYSA-N
XLogP4.71
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-(2,4-dimethylphenoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-(2,4-dimethylphenoxy)propanamide?
The IUPAC name of N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-(2,4-dimethylphenoxy)propanamide (CID 23379996) is N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-(2,4-dimethylphenoxy)propanamide.
What is the SMILES notation for N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-(2,4-dimethylphenoxy)propanamide?
The canonical SMILES for N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-(2,4-dimethylphenoxy)propanamide is Cc1ccc(OC(C)C(=O)Nc2ccccc2-c2nc3c(Cl)c(C)[nH]n3n2)c(C)c1.
What is the InChIKey of N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-(2,4-dimethylphenoxy)propanamide?
The InChIKey is KGTVVGFTPUGZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O2/c1-12-9-10-18(13(2)11-12)30-15(4)22(29)24-17-8-6-5-7-16(17)20-25-21-19(23)14(3)26-28(21)27-20/h5-11,15,26H,1-4H3,(H,24,29).
What are the key properties of N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-(2,4-dimethylphenoxy)propanamide?
N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-(2,4-dimethylphenoxy)propanamide has a molecular weight of 423.90 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-(2,4-dimethylphenoxy)propanamide is sourced from PubChem (CID 23379996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).