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

C31H35Cl2N9O2 — CID 54561809

IUPAC7-chloro-6-methyl-2-(4-methylphenyl)-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-(2,4-dimethylphenoxy)propanamide
SMILESCc1ccc(-c2nc3c(Cl)c(C)[nH]n3n2)cc1.Cc1ccc(OC(C)C(=O)NCC(C)c2nc3c(Cl)c(C)[nH]n3n2)c(C)c1
InChIInChI=1S/C19H24ClN5O2.C12H11ClN4/c1-10-6-7-15(11(2)8-10)27-14(5)19(26)21-9-12(3)17-22-18-16(20)13(4)23-25(18)24-17;1-7-3-5-9(6-4-7)11-14-12-10(13)8(2)15-17(12)16-11/h6-8,12,14,23H,9H2,1-5H3,(H,21,26);3-6,15H,1-2H3
InChIKeyXLCAGXWQYFTLHC-UHFFFAOYSA-N
MW636.59 g/mol
LogP6.32
Rot. Bonds7

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

7-chloro-6-methyl-2-(4-methylphenyl)-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-(2,4-dimethylphenoxy)propanamide (PubChem CID 54561809) has the molecular formula C31H35Cl2N9O2 and a molecular weight of 636.59 g/mol. Its IUPAC name is 7-chloro-6-methyl-2-(4-methylphenyl)-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-(2,4-dimethylphenoxy)propanamide.

Molecular Properties

Compound Name7-chloro-6-methyl-2-(4-methylphenyl)-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-(2,4-dimethylphenoxy)propanamide
PubChem CID54561809
Molecular FormulaC31H35Cl2N9O2
Molecular Weight636.59 g/mol
Exact Mass635.23
IUPAC Name7-chloro-6-methyl-2-(4-methylphenyl)-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-(2,4-dimethylphenoxy)propanamide
SMILESCc1ccc(-c2nc3c(Cl)c(C)[nH]n3n2)cc1.Cc1ccc(OC(C)C(=O)NCC(C)c2nc3c(Cl)c(C)[nH]n3n2)c(C)c1
InChIInChI=1S/C19H24ClN5O2.C12H11ClN4/c1-10-6-7-15(11(2)8-10)27-14(5)19(26)21-9-12(3)17-22-18-16(20)13(4)23-25(18)24-17;1-7-3-5-9(6-4-7)11-14-12-10(13)8(2)15-17(12)16-11/h6-8,12,14,23H,9H2,1-5H3,(H,21,26);3-6,15H,1-2H3
InChIKeyXLCAGXWQYFTLHC-UHFFFAOYSA-N
XLogP6.32
TPSA130.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.59
LogP ≤ 56.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 7-chloro-6-methyl-2-(4-methylphenyl)-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-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 7-chloro-6-methyl-2-(4-methylphenyl)-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-(2,4-dimethylphenoxy)propanamide?
The IUPAC name of 7-chloro-6-methyl-2-(4-methylphenyl)-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-(2,4-dimethylphenoxy)propanamide (CID 54561809) is 7-chloro-6-methyl-2-(4-methylphenyl)-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-(2,4-dimethylphenoxy)propanamide.
What is the SMILES notation for 7-chloro-6-methyl-2-(4-methylphenyl)-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-(2,4-dimethylphenoxy)propanamide?
The canonical SMILES for 7-chloro-6-methyl-2-(4-methylphenyl)-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-(2,4-dimethylphenoxy)propanamide is Cc1ccc(-c2nc3c(Cl)c(C)[nH]n3n2)cc1.Cc1ccc(OC(C)C(=O)NCC(C)c2nc3c(Cl)c(C)[nH]n3n2)c(C)c1.
What is the InChIKey of 7-chloro-6-methyl-2-(4-methylphenyl)-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-(2,4-dimethylphenoxy)propanamide?
The InChIKey is XLCAGXWQYFTLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O2.C12H11ClN4/c1-10-6-7-15(11(2)8-10)27-14(5)19(26)21-9-12(3)17-22-18-16(20)13(4)23-25(18)24-17;1-7-3-5-9(6-4-7)11-14-12-10(13)8(2)15-17(12)16-11/h6-8,12,14,23H,9H2,1-5H3,(H,21,26);3-6,15H,1-2H3.
What are the key properties of 7-chloro-6-methyl-2-(4-methylphenyl)-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-(2,4-dimethylphenoxy)propanamide?
7-chloro-6-methyl-2-(4-methylphenyl)-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-(2,4-dimethylphenoxy)propanamide has a molecular weight of 636.59 g/mol, XLogP of 6.32, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-methyl-2-(4-methylphenyl)-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-(2,4-dimethylphenoxy)propanamide is sourced from PubChem (CID 54561809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).