N-(2-pyrazol-1-ylpyrimidin-5-yl)-2-pyrrol-1-ylacetamide

C13H12N6O — CID 122300366

IUPACN-(2-pyrazol-1-ylpyrimidin-5-yl)-2-pyrrol-1-ylacetamide
SMILESO=C(Cn1cccc1)Nc1cnc(-n2cccn2)nc1
InChIInChI=1S/C13H12N6O/c20-12(10-18-5-1-2-6-18)17-11-8-14-13(15-9-11)19-7-3-4-16-19/h1-9H,10H2,(H,17,20)
InChIKeyPXOXRAROWYVTNC-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.10
Rot. Bonds4

About N-(2-pyrazol-1-ylpyrimidin-5-yl)-2-pyrrol-1-ylacetamide

N-(2-pyrazol-1-ylpyrimidin-5-yl)-2-pyrrol-1-ylacetamide (PubChem CID 122300366) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is N-(2-pyrazol-1-ylpyrimidin-5-yl)-2-pyrrol-1-ylacetamide.

Molecular Properties

Compound NameN-(2-pyrazol-1-ylpyrimidin-5-yl)-2-pyrrol-1-ylacetamide
PubChem CID122300366
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC NameN-(2-pyrazol-1-ylpyrimidin-5-yl)-2-pyrrol-1-ylacetamide
SMILESO=C(Cn1cccc1)Nc1cnc(-n2cccn2)nc1
InChIInChI=1S/C13H12N6O/c20-12(10-18-5-1-2-6-18)17-11-8-14-13(15-9-11)19-7-3-4-16-19/h1-9H,10H2,(H,17,20)
InChIKeyPXOXRAROWYVTNC-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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Related Compounds

N-(2-pyrazol-1-ylpyrimidin-5-yl)butanamide
CID 91967761
2-(2,4-difluorophenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
CID 122300328
2-(2-methoxyphenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
CID 122300315
2-(3-methylphenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
CID 122300273
N-(2-pyrazol-1-ylpyrimidin-5-yl)pyridine-2-carboxamide
CID 71789796
3-(3-methylthiophen-2-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)propanamide
CID 122300397
2-(1,3-benzodioxol-5-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
CID 122300316
N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-pyrrol-1-ylacetamide
CID 122292130
4-ethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide
CID 71789784
5-methyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)pyrazine-2-carboxamide
CID 122300381
(E)-3-phenyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)prop-2-enamide
CID 71789782
3,4-difluoro-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide
CID 122300235

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-ylpyrimidin-5-yl)-2-pyrrol-1-ylacetamide?
The IUPAC name of N-(2-pyrazol-1-ylpyrimidin-5-yl)-2-pyrrol-1-ylacetamide (CID 122300366) is N-(2-pyrazol-1-ylpyrimidin-5-yl)-2-pyrrol-1-ylacetamide.
What is the SMILES notation for N-(2-pyrazol-1-ylpyrimidin-5-yl)-2-pyrrol-1-ylacetamide?
The canonical SMILES for N-(2-pyrazol-1-ylpyrimidin-5-yl)-2-pyrrol-1-ylacetamide is O=C(Cn1cccc1)Nc1cnc(-n2cccn2)nc1.
What is the InChIKey of N-(2-pyrazol-1-ylpyrimidin-5-yl)-2-pyrrol-1-ylacetamide?
The InChIKey is PXOXRAROWYVTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c20-12(10-18-5-1-2-6-18)17-11-8-14-13(15-9-11)19-7-3-4-16-19/h1-9H,10H2,(H,17,20).
What are the key properties of N-(2-pyrazol-1-ylpyrimidin-5-yl)-2-pyrrol-1-ylacetamide?
N-(2-pyrazol-1-ylpyrimidin-5-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-(2-pyrazol-1-ylpyrimidin-5-yl)-2-pyrrol-1-ylacetamide is sourced from PubChem (CID 122300366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).