ethyl 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoate

C14H18N4O3 — CID 47494468

IUPACethyl 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1cnn2c(C)cc(C)nc12
InChIInChI=1S/C14H18N4O3/c1-5-21-14(20)10(4)17-13(19)11-7-15-18-9(3)6-8(2)16-12(11)18/h6-7,10H,5H2,1-4H3,(H,17,19)
InChIKeySSUVMLCEGBSKBV-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.03
Rot. Bonds4

About ethyl 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoate

ethyl 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoate (PubChem CID 47494468) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is ethyl 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoate
PubChem CID47494468
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Nameethyl 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1cnn2c(C)cc(C)nc12
InChIInChI=1S/C14H18N4O3/c1-5-21-14(20)10(4)17-13(19)11-7-15-18-9(3)6-8(2)16-12(11)18/h6-7,10H,5H2,1-4H3,(H,17,19)
InChIKeySSUVMLCEGBSKBV-UHFFFAOYSA-N
XLogP1.03
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-isobutyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2821351
N-cycloheptyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 969631
ethyl N-(pyrazolo[1,5-a]pyrimidin-3-ylcarbonyl)glycinate
CID 1975787
N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1097821
5,7-Dimethylpyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 17593557
N,5,7-trimethylpyrazolo(1,5-a)pyrimidine-3-carboxamide
CID 19440818
1-[(5,7-Dimethyl-3-pyrazolo[1,5-a]pyrimidinyl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester
CID 3244226
5,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1097803
5,7-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440633
Ethyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 726545
(5,7-Dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-pyrrolidin-1-ylmethanone
CID 29874167
N-(4-hydroxybutyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 60166852

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoate?
The IUPAC name of ethyl 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoate (CID 47494468) is ethyl 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoate is CCOC(=O)C(C)NC(=O)c1cnn2c(C)cc(C)nc12.
What is the InChIKey of ethyl 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoate?
The InChIKey is SSUVMLCEGBSKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-5-21-14(20)10(4)17-13(19)11-7-15-18-9(3)6-8(2)16-12(11)18/h6-7,10H,5H2,1-4H3,(H,17,19).
What are the key properties of ethyl 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoate?
ethyl 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoate has a molecular weight of 290.32 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 47494468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).