2-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide

C17H16N6O2 — CID 46998277

IUPAC2-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cc(-c3nc4ccccc4o3)cn2)n(C)n1
InChIInChI=1S/C17H16N6O2/c1-11-7-15(22(2)21-11)20-16(24)10-23-9-12(8-18-23)17-19-13-5-3-4-6-14(13)25-17/h3-9H,10H2,1-2H3,(H,20,24)
InChIKeyZNTMRKBEPLNXGJ-UHFFFAOYSA-N
MW336.36 g/mol
LogP2.37
Rot. Bonds4

About 2-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide

2-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide (PubChem CID 46998277) has the molecular formula C17H16N6O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 2-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
PubChem CID46998277
Molecular FormulaC17H16N6O2
Molecular Weight336.36 g/mol
Exact Mass336.13
IUPAC Name2-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cc(-c3nc4ccccc4o3)cn2)n(C)n1
InChIInChI=1S/C17H16N6O2/c1-11-7-15(22(2)21-11)20-16(24)10-23-9-12(8-18-23)17-19-13-5-3-4-6-14(13)25-17/h3-9H,10H2,1-2H3,(H,20,24)
InChIKeyZNTMRKBEPLNXGJ-UHFFFAOYSA-N
XLogP2.37
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(2-amino-6-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 46985324
N-(2,5-dimethylpyrazol-3-yl)-2-(4-phenylimidazol-1-yl)acetamide
CID 46992082
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-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-(4-pyrimidin-2-ylpyrazol-1-yl)acetamide
CID 46995367
N-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]pyrazol-1-yl]acetamide
CID 45199438
2-[4-(2-aminophenyl)pyrazol-1-yl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 46984542
2-[4-[4-(hydroxymethyl)phenyl]pyrazol-1-yl]-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)acetamide
CID 46986305
2-[5-(2,6-dimethylphenyl)indazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 46999120
N-(2,5-dimethylpyrazol-3-yl)-2-(2-methylphenyl)acetamide
CID 51307661
N-(2,5-dimethylpyrazol-3-yl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 33019725
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide (CID 46998277) is 2-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide is Cc1cc(NC(=O)Cn2cc(-c3nc4ccccc4o3)cn2)n(C)n1.
What is the InChIKey of 2-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The InChIKey is ZNTMRKBEPLNXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2/c1-11-7-15(22(2)21-11)20-16(24)10-23-9-12(8-18-23)17-19-13-5-3-4-6-14(13)25-17/h3-9H,10H2,1-2H3,(H,20,24).
What are the key properties of 2-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
2-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide has a molecular weight of 336.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzoxazol-2-yl)pyrazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide is sourced from PubChem (CID 46998277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).