2-(1,3-benzodioxol-5-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide

C19H19N5O3 — CID 122300676

IUPAC2-(1,3-benzodioxol-5-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
SMILESCc1nn(-c2ncc(NC(=O)Cc3ccc4c(c3)OCO4)cn2)c(C)c1C
InChIInChI=1S/C19H19N5O3/c1-11-12(2)23-24(13(11)3)19-20-8-15(9-21-19)22-18(25)7-14-4-5-16-17(6-14)27-10-26-16/h4-6,8-9H,7,10H2,1-3H3,(H,22,25)
InChIKeyVOANBUBGDINRHO-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.50
Rot. Bonds4

About 2-(1,3-benzodioxol-5-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide

2-(1,3-benzodioxol-5-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide (PubChem CID 122300676) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
PubChem CID122300676
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
SMILESCc1nn(-c2ncc(NC(=O)Cc3ccc4c(c3)OCO4)cn2)c(C)c1C
InChIInChI=1S/C19H19N5O3/c1-11-12(2)23-24(13(11)3)19-20-8-15(9-21-19)22-18(25)7-14-4-5-16-17(6-14)27-10-26-16/h4-6,8-9H,7,10H2,1-3H3,(H,22,25)
InChIKeyVOANBUBGDINRHO-UHFFFAOYSA-N
XLogP2.50
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.50
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-(1,3-benzodioxol-5-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
CID 122300316
3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide
CID 121112541
2-[methyl(methylsulfonyl)amino]-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
CID 122300670
N-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)acetamide
CID 110767424
2-(1,3-benzodioxol-5-yl)-N-(3-methylphenyl)acetamide
CID 40805167
2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide
CID 87044762
2-(1,3-benzodioxol-5-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 45284628
2-(1,3-benzodioxol-5-yl)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide
CID 122302770
3-fluoro-4-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 122300685
(E)-3-(1,3-benzodioxol-5-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]prop-2-enamide
CID 122300443

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide (CID 122300676) is 2-(1,3-benzodioxol-5-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide is Cc1nn(-c2ncc(NC(=O)Cc3ccc4c(c3)OCO4)cn2)c(C)c1C.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide?
The InChIKey is VOANBUBGDINRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-11-12(2)23-24(13(11)3)19-20-8-15(9-21-19)22-18(25)7-14-4-5-16-17(6-14)27-10-26-16/h4-6,8-9H,7,10H2,1-3H3,(H,22,25).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide?
2-(1,3-benzodioxol-5-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide has a molecular weight of 365.39 g/mol, XLogP of 2.50, 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-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide is sourced from PubChem (CID 122300676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).