N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide

C11H13N5O — CID 71789799

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
SMILESCC(=O)Nc1cnc(-n2nc(C)cc2C)nc1
InChIInChI=1S/C11H13N5O/c1-7-4-8(2)16(15-7)11-12-5-10(6-13-11)14-9(3)17/h4-6H,1-3H3,(H,14,17)
InChIKeyGMGXRVDDAZGPTR-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.24
Rot. Bonds2

About N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide

N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide (PubChem CID 71789799) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
PubChem CID71789799
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
SMILESCC(=O)Nc1cnc(-n2nc(C)cc2C)nc1
InChIInChI=1S/C11H13N5O/c1-7-4-8(2)16(15-7)11-12-5-10(6-13-11)14-9(3)17/h4-6H,1-3H3,(H,14,17)
InChIKeyGMGXRVDDAZGPTR-UHFFFAOYSA-N
XLogP1.24
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.24
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)pyrimidin-5-yl]acetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide (CID 71789799) is N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide is CC(=O)Nc1cnc(-n2nc(C)cc2C)nc1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide?
The InChIKey is GMGXRVDDAZGPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-7-4-8(2)16(15-7)11-12-5-10(6-13-11)14-9(3)17/h4-6H,1-3H3,(H,14,17).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide has a molecular weight of 231.26 g/mol, XLogP of 1.24, 2 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)pyrimidin-5-yl]acetamide is sourced from PubChem (CID 71789799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).