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

C17H19N5O2 — CID 100816346

IUPAC1-(4-methoxyphenyl)-N-(2-propan-2-ylpyrazol-3-yl)imidazole-4-carboxamide
SMILESCOc1ccc(-n2cnc(C(=O)Nc3ccnn3C(C)C)c2)cc1
InChIInChI=1S/C17H19N5O2/c1-12(2)22-16(8-9-19-22)20-17(23)15-10-21(11-18-15)13-4-6-14(24-3)7-5-13/h4-12H,1-3H3,(H,20,23)
InChIKeyQNGJPORWURPERS-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.91
Rot. Bonds5

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

1-(4-methoxyphenyl)-N-(2-propan-2-ylpyrazol-3-yl)imidazole-4-carboxamide (PubChem CID 100816346) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(2-propan-2-ylpyrazol-3-yl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(2-propan-2-ylpyrazol-3-yl)imidazole-4-carboxamide
PubChem CID100816346
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name1-(4-methoxyphenyl)-N-(2-propan-2-ylpyrazol-3-yl)imidazole-4-carboxamide
SMILESCOc1ccc(-n2cnc(C(=O)Nc3ccnn3C(C)C)c2)cc1
InChIInChI=1S/C17H19N5O2/c1-12(2)22-16(8-9-19-22)20-17(23)15-10-21(11-18-15)13-4-6-14(24-3)7-5-13/h4-12H,1-3H3,(H,20,23)
InChIKeyQNGJPORWURPERS-UHFFFAOYSA-N
XLogP2.91
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(2-propan-2-ylpyrazol-3-yl)imidazole-4-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-(2-propan-2-ylpyrazol-3-yl)imidazole-4-carboxamide (CID 100816346) is 1-(4-methoxyphenyl)-N-(2-propan-2-ylpyrazol-3-yl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(2-propan-2-ylpyrazol-3-yl)imidazole-4-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(2-propan-2-ylpyrazol-3-yl)imidazole-4-carboxamide is COc1ccc(-n2cnc(C(=O)Nc3ccnn3C(C)C)c2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(2-propan-2-ylpyrazol-3-yl)imidazole-4-carboxamide?
The InChIKey is QNGJPORWURPERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-12(2)22-16(8-9-19-22)20-17(23)15-10-21(11-18-15)13-4-6-14(24-3)7-5-13/h4-12H,1-3H3,(H,20,23).
What are the key properties of 1-(4-methoxyphenyl)-N-(2-propan-2-ylpyrazol-3-yl)imidazole-4-carboxamide?
1-(4-methoxyphenyl)-N-(2-propan-2-ylpyrazol-3-yl)imidazole-4-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(2-propan-2-ylpyrazol-3-yl)imidazole-4-carboxamide is sourced from PubChem (CID 100816346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).