N,N,1,5-tetramethyl-4-[[2-(2-methylphenoxy)acetyl]amino]pyrazole-3-carboxamide

C17H22N4O3 — CID 95747763

IUPACN,N,1,5-tetramethyl-4-[[2-(2-methylphenoxy)acetyl]amino]pyrazole-3-carboxamide
SMILESCc1ccccc1OCC(=O)Nc1c(C(=O)N(C)C)nn(C)c1C
InChIInChI=1S/C17H22N4O3/c1-11-8-6-7-9-13(11)24-10-14(22)18-15-12(2)21(5)19-16(15)17(23)20(3)4/h6-9H,10H2,1-5H3,(H,18,22)
InChIKeySQJNHKWWCHHOSU-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.76
Rot. Bonds5

About N,N,1,5-tetramethyl-4-[[2-(2-methylphenoxy)acetyl]amino]pyrazole-3-carboxamide

N,N,1,5-tetramethyl-4-[[2-(2-methylphenoxy)acetyl]amino]pyrazole-3-carboxamide (PubChem CID 95747763) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N,N,1,5-tetramethyl-4-[[2-(2-methylphenoxy)acetyl]amino]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,N,1,5-tetramethyl-4-[[2-(2-methylphenoxy)acetyl]amino]pyrazole-3-carboxamide
PubChem CID95747763
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN,N,1,5-tetramethyl-4-[[2-(2-methylphenoxy)acetyl]amino]pyrazole-3-carboxamide
SMILESCc1ccccc1OCC(=O)Nc1c(C(=O)N(C)C)nn(C)c1C
InChIInChI=1S/C17H22N4O3/c1-11-8-6-7-9-13(11)24-10-14(22)18-15-12(2)21(5)19-16(15)17(23)20(3)4/h6-9H,10H2,1-5H3,(H,18,22)
InChIKeySQJNHKWWCHHOSU-UHFFFAOYSA-N
XLogP1.76
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N,1,5-tetramethyl-4-[(2-naphthalen-2-yloxyacetyl)amino]pyrazole-3-carboxamide
CID 95747777
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 3-(2-methylphenoxy)propanoate
CID 7703650
4-acetamido-N,N,1,5-tetramethylpyrazole-3-carboxamide
CID 95748088
2-[[2-(2-ethoxyphenoxy)acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8810901
methyl 4-[[2-(4-fluorophenoxy)acetyl]amino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748123
2-(2,3-dimethylphenoxy)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)acetamide
CID 134707045
N-[3-(dimethylcarbamoyl)-1,5-dimethylpyrazol-4-yl]-N'-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]butanediamide
CID 95747867
[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-(2-methylphenoxy)acetate
CID 8651975
2-(2-methylphenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]acetamide
CID 90515630
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 9152455
N-[4-(dimethylamino)phenyl]-2-(2-methylphenoxy)acetamide
CID 2443872
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 90489979

Frequently Asked Questions

What is the IUPAC name of N,N,1,5-tetramethyl-4-[[2-(2-methylphenoxy)acetyl]amino]pyrazole-3-carboxamide?
The IUPAC name of N,N,1,5-tetramethyl-4-[[2-(2-methylphenoxy)acetyl]amino]pyrazole-3-carboxamide (CID 95747763) is N,N,1,5-tetramethyl-4-[[2-(2-methylphenoxy)acetyl]amino]pyrazole-3-carboxamide.
What is the SMILES notation for N,N,1,5-tetramethyl-4-[[2-(2-methylphenoxy)acetyl]amino]pyrazole-3-carboxamide?
The canonical SMILES for N,N,1,5-tetramethyl-4-[[2-(2-methylphenoxy)acetyl]amino]pyrazole-3-carboxamide is Cc1ccccc1OCC(=O)Nc1c(C(=O)N(C)C)nn(C)c1C.
What is the InChIKey of N,N,1,5-tetramethyl-4-[[2-(2-methylphenoxy)acetyl]amino]pyrazole-3-carboxamide?
The InChIKey is SQJNHKWWCHHOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11-8-6-7-9-13(11)24-10-14(22)18-15-12(2)21(5)19-16(15)17(23)20(3)4/h6-9H,10H2,1-5H3,(H,18,22).
What are the key properties of N,N,1,5-tetramethyl-4-[[2-(2-methylphenoxy)acetyl]amino]pyrazole-3-carboxamide?
N,N,1,5-tetramethyl-4-[[2-(2-methylphenoxy)acetyl]amino]pyrazole-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,5-tetramethyl-4-[[2-(2-methylphenoxy)acetyl]amino]pyrazole-3-carboxamide is sourced from PubChem (CID 95747763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).