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

C25H28ClN5O2 — CID 20686490

IUPACN-[2-[4-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]propyl]-2-(2,4-dimethylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)NCC(C)c2ccc(-c3nc4c(Cl)c(C)[nH]n4n3)cc2)c(C)c1
InChIInChI=1S/C25H28ClN5O2/c1-14-6-11-21(15(2)12-14)33-18(5)25(32)27-13-16(3)19-7-9-20(10-8-19)23-28-24-22(26)17(4)29-31(24)30-23/h6-12,16,18,29H,13H2,1-5H3,(H,27,32)
InChIKeySNYCAPVGMQQJHB-UHFFFAOYSA-N
MW465.99 g/mol
LogP4.99
Rot. Bonds7

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

N-[2-[4-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]propyl]-2-(2,4-dimethylphenoxy)propanamide (PubChem CID 20686490) has the molecular formula C25H28ClN5O2 and a molecular weight of 465.99 g/mol. Its IUPAC name is N-[2-[4-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]propyl]-2-(2,4-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-[4-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]propyl]-2-(2,4-dimethylphenoxy)propanamide
PubChem CID20686490
Molecular FormulaC25H28ClN5O2
Molecular Weight465.99 g/mol
Exact Mass465.19
IUPAC NameN-[2-[4-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]propyl]-2-(2,4-dimethylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)NCC(C)c2ccc(-c3nc4c(Cl)c(C)[nH]n4n3)cc2)c(C)c1
InChIInChI=1S/C25H28ClN5O2/c1-14-6-11-21(15(2)12-14)33-18(5)25(32)27-13-16(3)19-7-9-20(10-8-19)23-28-24-22(26)17(4)29-31(24)30-23/h6-12,16,18,29H,13H2,1-5H3,(H,27,32)
InChIKeySNYCAPVGMQQJHB-UHFFFAOYSA-N
XLogP4.99
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.99
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]propyl]-2-(2,4-dimethylphenoxy)propanamide?
The IUPAC name of N-[2-[4-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]propyl]-2-(2,4-dimethylphenoxy)propanamide (CID 20686490) is N-[2-[4-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]propyl]-2-(2,4-dimethylphenoxy)propanamide.
What is the SMILES notation for N-[2-[4-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]propyl]-2-(2,4-dimethylphenoxy)propanamide?
The canonical SMILES for N-[2-[4-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]propyl]-2-(2,4-dimethylphenoxy)propanamide is Cc1ccc(OC(C)C(=O)NCC(C)c2ccc(-c3nc4c(Cl)c(C)[nH]n4n3)cc2)c(C)c1.
What is the InChIKey of N-[2-[4-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]propyl]-2-(2,4-dimethylphenoxy)propanamide?
The InChIKey is SNYCAPVGMQQJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O2/c1-14-6-11-21(15(2)12-14)33-18(5)25(32)27-13-16(3)19-7-9-20(10-8-19)23-28-24-22(26)17(4)29-31(24)30-23/h6-12,16,18,29H,13H2,1-5H3,(H,27,32).
What are the key properties of N-[2-[4-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]propyl]-2-(2,4-dimethylphenoxy)propanamide?
N-[2-[4-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]propyl]-2-(2,4-dimethylphenoxy)propanamide has a molecular weight of 465.99 g/mol, XLogP of 4.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]propyl]-2-(2,4-dimethylphenoxy)propanamide is sourced from PubChem (CID 20686490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).