2-[2-(2-hydroxyethoxy)-5-methylphenyl]-N-[2,4,6-trimethyl-3-(6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)phenyl]acetamide

C25H29N5O3 — CID 21335982

IUPAC2-[2-(2-hydroxyethoxy)-5-methylphenyl]-N-[2,4,6-trimethyl-3-(6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)phenyl]acetamide
SMILESCc1ccc(OCCO)c(CC(=O)Nc2c(C)cc(C)c(-c3nnc4cc(C)[nH]n34)c2C)c1
InChIInChI=1S/C25H29N5O3/c1-14-6-7-20(33-9-8-31)19(10-14)13-22(32)26-24-16(3)11-15(2)23(18(24)5)25-28-27-21-12-17(4)29-30(21)25/h6-7,10-12,29,31H,8-9,13H2,1-5H3,(H,26,32)
InChIKeyMUBRIKOJPBCHST-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.82
Rot. Bonds7

About 2-[2-(2-hydroxyethoxy)-5-methylphenyl]-N-[2,4,6-trimethyl-3-(6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)phenyl]acetamide

2-[2-(2-hydroxyethoxy)-5-methylphenyl]-N-[2,4,6-trimethyl-3-(6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)phenyl]acetamide (PubChem CID 21335982) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)-5-methylphenyl]-N-[2,4,6-trimethyl-3-(6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)-5-methylphenyl]-N-[2,4,6-trimethyl-3-(6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)phenyl]acetamide
PubChem CID21335982
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name2-[2-(2-hydroxyethoxy)-5-methylphenyl]-N-[2,4,6-trimethyl-3-(6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)phenyl]acetamide
SMILESCc1ccc(OCCO)c(CC(=O)Nc2c(C)cc(C)c(-c3nnc4cc(C)[nH]n34)c2C)c1
InChIInChI=1S/C25H29N5O3/c1-14-6-7-20(33-9-8-31)19(10-14)13-22(32)26-24-16(3)11-15(2)23(18(24)5)25-28-27-21-12-17(4)29-30(21)25/h6-7,10-12,29,31H,8-9,13H2,1-5H3,(H,26,32)
InChIKeyMUBRIKOJPBCHST-UHFFFAOYSA-N
XLogP3.82
TPSA104.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2,4,6-trimethylphenyl]-2-[4-[(4-hydroxyphenyl)methyl]phenoxy]dodecanamide;6-tert-butyl-3-[2,4,6-trimethyl-3-[[3-[(5-methyl-2-octoxyphenyl)methyl]phenyl]methyl]phenyl]-5H-pyrazolo[5,1-c][1,2,4]triazole
CID 91339907
N-[4-(2,4-dimethylphenoxy)butyl]-3-(4-methylphenyl)-5H-pyrazolo[5,1-c][1,2,4]triazole-6-carboxamide
CID 20749688
3-(2,4-dimethylphenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 43546863
2-(2,5-dimethylphenyl)-N-(2,4,6-trimethylphenyl)acetamide
CID 38020341
2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]ethanol
CID 63326627
N-[5-[2-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethoxy]-2-methylphenyl]-3-hydroxypropanamide
CID 21336016
3-(2-phenylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 52579450
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431
2-(2-benzyl-4-methylphenoxy)ethanol
CID 156845812
N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(2,4-dimethylphenoxy)propanamide
CID 55726149
3-[2-(2-aminopropyl)-4-methylphenoxy]-N-methylpropanamide
CID 55200918
2-(2-butoxy-5-methylphenyl)acetic acid
CID 82051975

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)-5-methylphenyl]-N-[2,4,6-trimethyl-3-(6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)phenyl]acetamide?
The IUPAC name of 2-[2-(2-hydroxyethoxy)-5-methylphenyl]-N-[2,4,6-trimethyl-3-(6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)phenyl]acetamide (CID 21335982) is 2-[2-(2-hydroxyethoxy)-5-methylphenyl]-N-[2,4,6-trimethyl-3-(6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)-5-methylphenyl]-N-[2,4,6-trimethyl-3-(6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)phenyl]acetamide?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)-5-methylphenyl]-N-[2,4,6-trimethyl-3-(6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)phenyl]acetamide is Cc1ccc(OCCO)c(CC(=O)Nc2c(C)cc(C)c(-c3nnc4cc(C)[nH]n34)c2C)c1.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)-5-methylphenyl]-N-[2,4,6-trimethyl-3-(6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)phenyl]acetamide?
The InChIKey is MUBRIKOJPBCHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-14-6-7-20(33-9-8-31)19(10-14)13-22(32)26-24-16(3)11-15(2)23(18(24)5)25-28-27-21-12-17(4)29-30(21)25/h6-7,10-12,29,31H,8-9,13H2,1-5H3,(H,26,32).
What are the key properties of 2-[2-(2-hydroxyethoxy)-5-methylphenyl]-N-[2,4,6-trimethyl-3-(6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)phenyl]acetamide?
2-[2-(2-hydroxyethoxy)-5-methylphenyl]-N-[2,4,6-trimethyl-3-(6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)phenyl]acetamide has a molecular weight of 447.54 g/mol, XLogP of 3.82, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)-5-methylphenyl]-N-[2,4,6-trimethyl-3-(6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)phenyl]acetamide is sourced from PubChem (CID 21335982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).