N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)acetamide

C14H13N5O — CID 71601785

IUPACN-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)acetamide
SMILESCC(=O)Nc1nc(C)nc2cn(-c3ccccc3)nc12
InChIInChI=1S/C14H13N5O/c1-9-15-12-8-19(11-6-4-3-5-7-11)18-13(12)14(16-9)17-10(2)20/h3-8H,1-2H3,(H,15,16,17,20)
InChIKeyAXWJFYYKWIABKT-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.08
Rot. Bonds2

About N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)acetamide

N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)acetamide (PubChem CID 71601785) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)acetamide
PubChem CID71601785
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC NameN-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)acetamide
SMILESCC(=O)Nc1nc(C)nc2cn(-c3ccccc3)nc12
InChIInChI=1S/C14H13N5O/c1-9-15-12-8-19(11-6-4-3-5-7-11)18-13(12)14(16-9)17-10(2)20/h3-8H,1-2H3,(H,15,16,17,20)
InChIKeyAXWJFYYKWIABKT-UHFFFAOYSA-N
XLogP2.08
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)acetamide?
The IUPAC name of N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)acetamide (CID 71601785) is N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)acetamide.
What is the SMILES notation for N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)acetamide?
The canonical SMILES for N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)acetamide is CC(=O)Nc1nc(C)nc2cn(-c3ccccc3)nc12.
What is the InChIKey of N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)acetamide?
The InChIKey is AXWJFYYKWIABKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-9-15-12-8-19(11-6-4-3-5-7-11)18-13(12)14(16-9)17-10(2)20/h3-8H,1-2H3,(H,15,16,17,20).
What are the key properties of N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)acetamide?
N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)acetamide has a molecular weight of 267.29 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)acetamide is sourced from PubChem (CID 71601785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).