2-(3-methyl-4-propan-2-ylpyrazol-1-yl)-N-pyrimidin-2-ylacetamide

C13H17N5O — CID 170651422

IUPAC2-(3-methyl-4-propan-2-ylpyrazol-1-yl)-N-pyrimidin-2-ylacetamide
SMILESCc1nn(CC(=O)Nc2ncccn2)cc1C(C)C
InChIInChI=1S/C13H17N5O/c1-9(2)11-7-18(17-10(11)3)8-12(19)16-13-14-5-4-6-15-13/h4-7,9H,8H2,1-3H3,(H,14,15,16,19)
InChIKeyMBPUVWNQKABYMZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.74
Rot. Bonds4

About 2-(3-methyl-4-propan-2-ylpyrazol-1-yl)-N-pyrimidin-2-ylacetamide

2-(3-methyl-4-propan-2-ylpyrazol-1-yl)-N-pyrimidin-2-ylacetamide (PubChem CID 170651422) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(3-methyl-4-propan-2-ylpyrazol-1-yl)-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-(3-methyl-4-propan-2-ylpyrazol-1-yl)-N-pyrimidin-2-ylacetamide
PubChem CID170651422
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-(3-methyl-4-propan-2-ylpyrazol-1-yl)-N-pyrimidin-2-ylacetamide
SMILESCc1nn(CC(=O)Nc2ncccn2)cc1C(C)C
InChIInChI=1S/C13H17N5O/c1-9(2)11-7-18(17-10(11)3)8-12(19)16-13-14-5-4-6-15-13/h4-7,9H,8H2,1-3H3,(H,14,15,16,19)
InChIKeyMBPUVWNQKABYMZ-UHFFFAOYSA-N
XLogP1.74
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-propan-2-ylpyrazol-1-yl)-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-(3-methyl-4-propan-2-ylpyrazol-1-yl)-N-pyrimidin-2-ylacetamide (CID 170651422) is 2-(3-methyl-4-propan-2-ylpyrazol-1-yl)-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-(3-methyl-4-propan-2-ylpyrazol-1-yl)-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-(3-methyl-4-propan-2-ylpyrazol-1-yl)-N-pyrimidin-2-ylacetamide is Cc1nn(CC(=O)Nc2ncccn2)cc1C(C)C.
What is the InChIKey of 2-(3-methyl-4-propan-2-ylpyrazol-1-yl)-N-pyrimidin-2-ylacetamide?
The InChIKey is MBPUVWNQKABYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9(2)11-7-18(17-10(11)3)8-12(19)16-13-14-5-4-6-15-13/h4-7,9H,8H2,1-3H3,(H,14,15,16,19).
What are the key properties of 2-(3-methyl-4-propan-2-ylpyrazol-1-yl)-N-pyrimidin-2-ylacetamide?
2-(3-methyl-4-propan-2-ylpyrazol-1-yl)-N-pyrimidin-2-ylacetamide has a molecular weight of 259.31 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-propan-2-ylpyrazol-1-yl)-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 170651422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).