2-(3-methoxyphenyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-imidazole-4-carboxamide

C18H21N5O2 — CID 75389681

IUPAC2-(3-methoxyphenyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-imidazole-4-carboxamide
SMILESCOc1cccc(-c2nc(C(=O)Nc3cnn(C(C)C)c3)c(C)[nH]2)c1
InChIInChI=1S/C18H21N5O2/c1-11(2)23-10-14(9-19-23)21-18(24)16-12(3)20-17(22-16)13-6-5-7-15(8-13)25-4/h5-11H,1-4H3,(H,20,22)(H,21,24)
InChIKeyBEOJXOINTQOOPL-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.42
Rot. Bonds5

About 2-(3-methoxyphenyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-imidazole-4-carboxamide

2-(3-methoxyphenyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-imidazole-4-carboxamide (PubChem CID 75389681) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-imidazole-4-carboxamide
PubChem CID75389681
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name2-(3-methoxyphenyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-imidazole-4-carboxamide
SMILESCOc1cccc(-c2nc(C(=O)Nc3cnn(C(C)C)c3)c(C)[nH]2)c1
InChIInChI=1S/C18H21N5O2/c1-11(2)23-10-14(9-19-23)21-18(24)16-12(3)20-17(22-16)13-6-5-7-15(8-13)25-4/h5-11H,1-4H3,(H,20,22)(H,21,24)
InChIKeyBEOJXOINTQOOPL-UHFFFAOYSA-N
XLogP3.42
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-imidazole-4-carboxamide
CID 134705328
3-propan-2-yloxy-N-(1-propan-2-ylpyrazol-4-yl)benzamide
CID 134702922
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 75433034
N-[[1-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 71844097
3-methoxybutyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 71905690
(E)-3-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]prop-2-enoic acid
CID 82300310
3-fluoro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide
CID 138034343
5-amino-2-(2,6-difluorophenyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 53482900
3-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid
CID 82301525
N-(1-propan-2-ylpyrazol-4-yl)-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71267344
(4-methyl-1,3-thiazol-5-yl)methyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 84592763
3-amino-6-(3-methoxyphenyl)-N-phenylpyrazine-2-carboxamide
CID 52937360

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-imidazole-4-carboxamide?
The IUPAC name of 2-(3-methoxyphenyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-imidazole-4-carboxamide (CID 75389681) is 2-(3-methoxyphenyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-imidazole-4-carboxamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-imidazole-4-carboxamide?
The canonical SMILES for 2-(3-methoxyphenyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-imidazole-4-carboxamide is COc1cccc(-c2nc(C(=O)Nc3cnn(C(C)C)c3)c(C)[nH]2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-imidazole-4-carboxamide?
The InChIKey is BEOJXOINTQOOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-11(2)23-10-14(9-19-23)21-18(24)16-12(3)20-17(22-16)13-6-5-7-15(8-13)25-4/h5-11H,1-4H3,(H,20,22)(H,21,24).
What are the key properties of 2-(3-methoxyphenyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-imidazole-4-carboxamide?
2-(3-methoxyphenyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-imidazole-4-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-imidazole-4-carboxamide is sourced from PubChem (CID 75389681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).