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

C17H19N5O — CID 134705328

IUPAC5-methyl-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-imidazole-4-carboxamide
SMILESCc1[nH]c(-c2ccccc2)nc1C(=O)Nc1cnn(C(C)C)c1
InChIInChI=1S/C17H19N5O/c1-11(2)22-10-14(9-18-22)20-17(23)15-12(3)19-16(21-15)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,19,21)(H,20,23)
InChIKeyHLWFQWUGEILFDV-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.41
Rot. Bonds4

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

5-methyl-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-imidazole-4-carboxamide (PubChem CID 134705328) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-methyl-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-imidazole-4-carboxamide
PubChem CID134705328
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name5-methyl-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-imidazole-4-carboxamide
SMILESCc1[nH]c(-c2ccccc2)nc1C(=O)Nc1cnn(C(C)C)c1
InChIInChI=1S/C17H19N5O/c1-11(2)22-10-14(9-18-22)20-17(23)15-12(3)19-16(21-15)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,19,21)(H,20,23)
InChIKeyHLWFQWUGEILFDV-UHFFFAOYSA-N
XLogP3.41
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-imidazole-4-carboxamide?
The IUPAC name of 5-methyl-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-imidazole-4-carboxamide (CID 134705328) is 5-methyl-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-imidazole-4-carboxamide.
What is the SMILES notation for 5-methyl-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-imidazole-4-carboxamide?
The canonical SMILES for 5-methyl-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-imidazole-4-carboxamide is Cc1[nH]c(-c2ccccc2)nc1C(=O)Nc1cnn(C(C)C)c1.
What is the InChIKey of 5-methyl-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-imidazole-4-carboxamide?
The InChIKey is HLWFQWUGEILFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-11(2)22-10-14(9-18-22)20-17(23)15-12(3)19-16(21-15)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,19,21)(H,20,23).
What are the key properties of 5-methyl-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-imidazole-4-carboxamide?
5-methyl-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-imidazole-4-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-imidazole-4-carboxamide is sourced from PubChem (CID 134705328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).