2-(1,3-benzodioxol-5-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide

C16H13N5O3 — CID 122300316

IUPAC2-(1,3-benzodioxol-5-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)Nc1cnc(-n2cccn2)nc1
InChIInChI=1S/C16H13N5O3/c22-15(7-11-2-3-13-14(6-11)24-10-23-13)20-12-8-17-16(18-9-12)21-5-1-4-19-21/h1-6,8-9H,7,10H2,(H,20,22)
InChIKeyWOJKPIVGNZXADO-UHFFFAOYSA-N
MW323.31 g/mol
LogP1.57
Rot. Bonds4

About 2-(1,3-benzodioxol-5-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide

2-(1,3-benzodioxol-5-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide (PubChem CID 122300316) has the molecular formula C16H13N5O3 and a molecular weight of 323.31 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
PubChem CID122300316
Molecular FormulaC16H13N5O3
Molecular Weight323.31 g/mol
Exact Mass323.10
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)Nc1cnc(-n2cccn2)nc1
InChIInChI=1S/C16H13N5O3/c22-15(7-11-2-3-13-14(6-11)24-10-23-13)20-12-8-17-16(18-9-12)21-5-1-4-19-21/h1-6,8-9H,7,10H2,(H,20,22)
InChIKeyWOJKPIVGNZXADO-UHFFFAOYSA-N
XLogP1.57
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide
CID 122301058
2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylpyrimidin-5-yl)acetamide
CID 122298889
2-(3-methylphenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
CID 122300273
2-(1,3-benzodioxol-5-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
CID 122300676
2-(1,3-benzodioxol-5-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide
CID 136579374
N-(2-pyrazol-1-ylpyrimidin-5-yl)butanamide
CID 91967761
1-(1,3-benzodioxol-5-ylmethyl)-3-(3-pyrazol-1-ylphenyl)urea
CID 51116793
N-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)acetamide
CID 110767424
2-(1,3-benzodioxol-5-yl)-N-(3-methylphenyl)acetamide
CID 40805167
N-(1,3-benzodioxol-5-yl)-2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanylacetamide
CID 7151096
2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide
CID 87044762
N-(1,3-benzodioxol-5-ylmethyl)-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide
CID 56766215

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide (CID 122300316) is 2-(1,3-benzodioxol-5-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide is O=C(Cc1ccc2c(c1)OCO2)Nc1cnc(-n2cccn2)nc1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide?
The InChIKey is WOJKPIVGNZXADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O3/c22-15(7-11-2-3-13-14(6-11)24-10-23-13)20-12-8-17-16(18-9-12)21-5-1-4-19-21/h1-6,8-9H,7,10H2,(H,20,22).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide?
2-(1,3-benzodioxol-5-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide has a molecular weight of 323.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide is sourced from PubChem (CID 122300316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).