N-(6-pyrazol-1-ylpyrimidin-4-yl)-2-pyrrol-1-ylacetamide

C13H12N6O — CID 71805370

IUPACN-(6-pyrazol-1-ylpyrimidin-4-yl)-2-pyrrol-1-ylacetamide
SMILESO=C(Cn1cccc1)Nc1cc(-n2cccn2)ncn1
InChIInChI=1S/C13H12N6O/c20-13(9-18-5-1-2-6-18)17-11-8-12(15-10-14-11)19-7-3-4-16-19/h1-8,10H,9H2,(H,14,15,17,20)
InChIKeyIEABVKNBCRRAEZ-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.10
Rot. Bonds4

About N-(6-pyrazol-1-ylpyrimidin-4-yl)-2-pyrrol-1-ylacetamide

N-(6-pyrazol-1-ylpyrimidin-4-yl)-2-pyrrol-1-ylacetamide (PubChem CID 71805370) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is N-(6-pyrazol-1-ylpyrimidin-4-yl)-2-pyrrol-1-ylacetamide.

Molecular Properties

Compound NameN-(6-pyrazol-1-ylpyrimidin-4-yl)-2-pyrrol-1-ylacetamide
PubChem CID71805370
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC NameN-(6-pyrazol-1-ylpyrimidin-4-yl)-2-pyrrol-1-ylacetamide
SMILESO=C(Cn1cccc1)Nc1cc(-n2cccn2)ncn1
InChIInChI=1S/C13H12N6O/c20-13(9-18-5-1-2-6-18)17-11-8-12(15-10-14-11)19-7-3-4-16-19/h1-8,10H,9H2,(H,14,15,17,20)
InChIKeyIEABVKNBCRRAEZ-UHFFFAOYSA-N
XLogP1.10
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-pyrazol-1-ylpyrimidin-4-yl)-2-pyrrol-1-ylacetamide?
The IUPAC name of N-(6-pyrazol-1-ylpyrimidin-4-yl)-2-pyrrol-1-ylacetamide (CID 71805370) is N-(6-pyrazol-1-ylpyrimidin-4-yl)-2-pyrrol-1-ylacetamide.
What is the SMILES notation for N-(6-pyrazol-1-ylpyrimidin-4-yl)-2-pyrrol-1-ylacetamide?
The canonical SMILES for N-(6-pyrazol-1-ylpyrimidin-4-yl)-2-pyrrol-1-ylacetamide is O=C(Cn1cccc1)Nc1cc(-n2cccn2)ncn1.
What is the InChIKey of N-(6-pyrazol-1-ylpyrimidin-4-yl)-2-pyrrol-1-ylacetamide?
The InChIKey is IEABVKNBCRRAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c20-13(9-18-5-1-2-6-18)17-11-8-12(15-10-14-11)19-7-3-4-16-19/h1-8,10H,9H2,(H,14,15,17,20).
What are the key properties of N-(6-pyrazol-1-ylpyrimidin-4-yl)-2-pyrrol-1-ylacetamide?
N-(6-pyrazol-1-ylpyrimidin-4-yl)-2-pyrrol-1-ylacetamide has a molecular weight of 268.28 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-pyrazol-1-ylpyrimidin-4-yl)-2-pyrrol-1-ylacetamide is sourced from PubChem (CID 71805370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).