N-(2,5-dimethylpyrazol-3-yl)-2-(4-phenylimidazol-1-yl)acetamide

C16H17N5O — CID 46992082

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-(4-phenylimidazol-1-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cnc(-c3ccccc3)c2)n(C)n1
InChIInChI=1S/C16H17N5O/c1-12-8-15(20(2)19-12)18-16(22)10-21-9-14(17-11-21)13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3,(H,18,22)
InChIKeyPHEJZVNVTNCEQJ-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.23
Rot. Bonds4

About N-(2,5-dimethylpyrazol-3-yl)-2-(4-phenylimidazol-1-yl)acetamide

N-(2,5-dimethylpyrazol-3-yl)-2-(4-phenylimidazol-1-yl)acetamide (PubChem CID 46992082) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-(4-phenylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-(4-phenylimidazol-1-yl)acetamide
PubChem CID46992082
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-(4-phenylimidazol-1-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cnc(-c3ccccc3)c2)n(C)n1
InChIInChI=1S/C16H17N5O/c1-12-8-15(20(2)19-12)18-16(22)10-21-9-14(17-11-21)13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3,(H,18,22)
InChIKeyPHEJZVNVTNCEQJ-UHFFFAOYSA-N
XLogP2.23
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethoxy]acetic acid
CID 2811788
2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36845381
2-(benzotriazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 47131251
N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 32660135
N-(2,5-dimethylpyrazol-3-yl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 91938934
N-(2,5-dimethylpyrazol-3-yl)-2-(2-methylphenyl)acetamide
CID 51307661
2-(4-methylimidazol-1-yl)-N-(2-methylpyrazol-3-yl)acetamide
CID 46983131
N-(2,5-dimethylpyrazol-3-yl)-2-[5-(2-methyl-4-phenyl-3-pyridinyl)tetrazol-2-yl]acetamide
CID 46997290
N-(2,5-dimethylpyrazol-3-yl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 51288176
N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-phenylimidazol-1-yl)acetamide
CID 121239764
N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)acetamide
CID 60703413
N-(2,5-dimethylpyrazol-3-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 33034904

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-(4-phenylimidazol-1-yl)acetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-(4-phenylimidazol-1-yl)acetamide (CID 46992082) is N-(2,5-dimethylpyrazol-3-yl)-2-(4-phenylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-(4-phenylimidazol-1-yl)acetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-(4-phenylimidazol-1-yl)acetamide is Cc1cc(NC(=O)Cn2cnc(-c3ccccc3)c2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-(4-phenylimidazol-1-yl)acetamide?
The InChIKey is PHEJZVNVTNCEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-12-8-15(20(2)19-12)18-16(22)10-21-9-14(17-11-21)13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3,(H,18,22).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-(4-phenylimidazol-1-yl)acetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-(4-phenylimidazol-1-yl)acetamide has a molecular weight of 295.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-(4-phenylimidazol-1-yl)acetamide is sourced from PubChem (CID 46992082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).