N-(2-imidazol-1-ylethyl)-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide

C17H19N5O2 — CID 46968881

IUPACN-(2-imidazol-1-ylethyl)-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCn3ccnc3)n(C)n2)cc1
InChIInChI=1S/C17H19N5O2/c1-21-16(17(23)19-8-10-22-9-7-18-12-22)11-15(20-21)13-3-5-14(24-2)6-4-13/h3-7,9,11-12H,8,10H2,1-2H3,(H,19,23)
InChIKeyXXDALZYZMOFKTO-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.72
Rot. Bonds6

About N-(2-imidazol-1-ylethyl)-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide

N-(2-imidazol-1-ylethyl)-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 46968881) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide
PubChem CID46968881
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-(2-imidazol-1-ylethyl)-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCn3ccnc3)n(C)n2)cc1
InChIInChI=1S/C17H19N5O2/c1-21-16(17(23)19-8-10-22-9-7-18-12-22)11-15(20-21)13-3-5-14(24-2)6-4-13/h3-7,9,11-12H,8,10H2,1-2H3,(H,19,23)
InChIKeyXXDALZYZMOFKTO-UHFFFAOYSA-N
XLogP1.72
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-butoxy-5-acetylpyridin-3-yl)-3-ethyl-2-[(1-methyl-1H-imidazol-2-yl)methyl]-2H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135505670
N-(3-imidazol-1-ylpropyl)-8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide
CID 4055067
5-N-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 53468453
4-(azetidine-1-carbonyl)-N-[2-[4-(3-methoxyphenyl)-1-methylimidazol-2-yl]ethyl]-1-methylpyrazole-5-carboxamide
CID 71288529
4-(azetidine-1-carbonyl)-N-[2-[4-(2-methoxyphenyl)-1-methylimidazol-2-yl]ethyl]-1-methylpyrazole-5-carboxamide
CID 71288530
5-(5-Acetyl-2-propoxy-3-pyridinyl)-3-ethyl-2-[(1-methyl-1H-imidazol-2-yl)methyl]-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135530119
1-(4-benzoylpiperazin-1-yl)-2-[4-[3-(4-methoxyphenyl)pyrazol-1-yl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 25024302
Pyrimidine-4-carboxamide, 73
CID 44520950
Pyrimidine-4-carboxamide, 77
CID 44520952
Pyrimidine-4-carboxamide, 74
CID 44520963
Pyrimidine-4-carboxamide, 78
CID 44520965
4-N-ethyl-5-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 165414843

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide (CID 46968881) is N-(2-imidazol-1-ylethyl)-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NCCn3ccnc3)n(C)n2)cc1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is XXDALZYZMOFKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-21-16(17(23)19-8-10-22-9-7-18-12-22)11-15(20-21)13-3-5-14(24-2)6-4-13/h3-7,9,11-12H,8,10H2,1-2H3,(H,19,23).
What are the key properties of N-(2-imidazol-1-ylethyl)-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
N-(2-imidazol-1-ylethyl)-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 46968881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).