N-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]acetamide

C17H17N5O — CID 25138072

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2ccccc2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C17H17N5O/c1-11-9-12(2)22(21-11)17-19-15(14-7-5-4-6-8-14)10-16(20-17)18-13(3)23/h4-10H,1-3H3,(H,18,19,20,23)
InChIKeyOPNAWTWHKNBYIX-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.90
Rot. Bonds3

About N-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]acetamide

N-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]acetamide (PubChem CID 25138072) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]acetamide
PubChem CID25138072
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2ccccc2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C17H17N5O/c1-11-9-12(2)22(21-11)17-19-15(14-7-5-4-6-8-14)10-16(20-17)18-13(3)23/h4-10H,1-3H3,(H,18,19,20,23)
InChIKeyOPNAWTWHKNBYIX-UHFFFAOYSA-N
XLogP2.90
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]acetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]acetamide (CID 25138072) is N-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]acetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]acetamide is CC(=O)Nc1cc(-c2ccccc2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]acetamide?
The InChIKey is OPNAWTWHKNBYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-11-9-12(2)22(21-11)17-19-15(14-7-5-4-6-8-14)10-16(20-17)18-13(3)23/h4-10H,1-3H3,(H,18,19,20,23).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]acetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]acetamide has a molecular weight of 307.36 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]acetamide is sourced from PubChem (CID 25138072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).