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

C15H20N6O — CID 24989637

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-ylpyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(N2CCCC2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C15H20N6O/c1-10-8-11(2)21(19-10)15-17-13(16-12(3)22)9-14(18-15)20-6-4-5-7-20/h8-9H,4-7H2,1-3H3,(H,16,17,18,22)
InChIKeySUSJUEJXDAVAEM-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.84
Rot. Bonds3

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

N-[2-(3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-ylpyrimidin-4-yl]acetamide (PubChem CID 24989637) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-ylpyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-ylpyrimidin-4-yl]acetamide
PubChem CID24989637
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-ylpyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(N2CCCC2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C15H20N6O/c1-10-8-11(2)21(19-10)15-17-13(16-12(3)22)9-14(18-15)20-6-4-5-7-20/h8-9H,4-7H2,1-3H3,(H,16,17,18,22)
InChIKeySUSJUEJXDAVAEM-UHFFFAOYSA-N
XLogP1.84
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-ylpyrimidin-4-yl]acetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-ylpyrimidin-4-yl]acetamide (CID 24989637) is N-[2-(3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-ylpyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-ylpyrimidin-4-yl]acetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-ylpyrimidin-4-yl]acetamide is CC(=O)Nc1cc(N2CCCC2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-ylpyrimidin-4-yl]acetamide?
The InChIKey is SUSJUEJXDAVAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-10-8-11(2)21(19-10)15-17-13(16-12(3)22)9-14(18-15)20-6-4-5-7-20/h8-9H,4-7H2,1-3H3,(H,16,17,18,22).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-ylpyrimidin-4-yl]acetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-ylpyrimidin-4-yl]acetamide has a molecular weight of 300.37 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-ylpyrimidin-4-yl]acetamide is sourced from PubChem (CID 24989637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).