2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N-propan-2-ylacetamide

C12H17N5O2 — CID 39890794

IUPAC2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N-propan-2-ylacetamide
SMILESCc1c2ncn(CC(=O)NC(C)C)c(=O)c2nn1C
InChIInChI=1S/C12H17N5O2/c1-7(2)14-9(18)5-17-6-13-10-8(3)16(4)15-11(10)12(17)19/h6-7H,5H2,1-4H3,(H,14,18)
InChIKeyAHJDLWRQBZUYKJ-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.04
Rot. Bonds3

About 2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N-propan-2-ylacetamide

2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N-propan-2-ylacetamide (PubChem CID 39890794) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N-propan-2-ylacetamide
PubChem CID39890794
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N-propan-2-ylacetamide
SMILESCc1c2ncn(CC(=O)NC(C)C)c(=O)c2nn1C
InChIInChI=1S/C12H17N5O2/c1-7(2)14-9(18)5-17-6-13-10-8(3)16(4)15-11(10)12(17)19/h6-7H,5H2,1-4H3,(H,14,18)
InChIKeyAHJDLWRQBZUYKJ-UHFFFAOYSA-N
XLogP-0.04
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 831737
(10S)-5-ethyl-6-methyl-1,4,5,8-tetrazatricyclo[8.3.0.03,7]trideca-3,6,8-trien-2-one
CID 10059827
1,3-Dimethyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626437
1H-Pyrazolo(4,3-d)pyrimidin-7(6H)-one, 6-isopentyl-3-methyl-
CID 3061965
1,3,5-trimethyl-1H,6H,7H-pyrazolo(4,3-d)pyrimidin-7-one
CID 135709804
5-(chloromethyl)-1,3-dimethyl-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135783923
(10S)-4-ethyl-6-methyl-1,4,5,8-tetrazatricyclo[8.3.0.03,7]trideca-3(7),5,8-trien-2-one
CID 10082668
2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N,N-dimethylacetamide
CID 39890766
2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N,N-dimethylacetamide
CID 39892266
1,3-Dimethyl-6-propyl-5-pyrrolidin-1-ylpyrazolo[4,5-d]pyrimidin-7-one
CID 39895064
1,3-Dimethyl-5-piperidin-1-yl-6-propylpyrazolo[4,5-d]pyrimidin-7-one
CID 39895131
(10S)-4,6-dimethyl-1,4,5,8-tetrazatricyclo[8.3.0.03,7]trideca-3(7),5,8-trien-2-one
CID 44318375

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N-propan-2-ylacetamide (CID 39890794) is 2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N-propan-2-ylacetamide is Cc1c2ncn(CC(=O)NC(C)C)c(=O)c2nn1C.
What is the InChIKey of 2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N-propan-2-ylacetamide?
The InChIKey is AHJDLWRQBZUYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-7(2)14-9(18)5-17-6-13-10-8(3)16(4)15-11(10)12(17)19/h6-7H,5H2,1-4H3,(H,14,18).
What are the key properties of 2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N-propan-2-ylacetamide?
2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N-propan-2-ylacetamide has a molecular weight of 263.30 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 39890794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).