2-(3,5-dimethylpyrazol-1-yl)-N-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)acetamide

C15H18N6O — CID 75454115

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2ncnc3[nH]c(C)c(C)c23)n1
InChIInChI=1S/C15H18N6O/c1-8-5-9(2)21(20-8)6-12(22)19-15-13-10(3)11(4)18-14(13)16-7-17-15/h5,7H,6H2,1-4H3,(H2,16,17,18,19,22)
InChIKeyDXAMIMMILAUELU-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.03
Rot. Bonds3

About 2-(3,5-dimethylpyrazol-1-yl)-N-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)acetamide (PubChem CID 75454115) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)acetamide
PubChem CID75454115
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2ncnc3[nH]c(C)c(C)c23)n1
InChIInChI=1S/C15H18N6O/c1-8-5-9(2)21(20-8)6-12(22)19-15-13-10(3)11(4)18-14(13)16-7-17-15/h5,7H,6H2,1-4H3,(H2,16,17,18,19,22)
InChIKeyDXAMIMMILAUELU-UHFFFAOYSA-N
XLogP2.03
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)acetamide (CID 75454115) is 2-(3,5-dimethylpyrazol-1-yl)-N-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)acetamide is Cc1cc(C)n(CC(=O)Nc2ncnc3[nH]c(C)c(C)c23)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)acetamide?
The InChIKey is DXAMIMMILAUELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-8-5-9(2)21(20-8)6-12(22)19-15-13-10(3)11(4)18-14(13)16-7-17-15/h5,7H,6H2,1-4H3,(H2,16,17,18,19,22).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)acetamide has a molecular weight of 298.35 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)acetamide is sourced from PubChem (CID 75454115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).