5,7-dimethyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C14H15N5O2 — CID 49396849

IUPAC5,7-dimethyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC#CCNC(=O)CNC(=O)c1cnn2c(C)cc(C)nc12
InChIInChI=1S/C14H15N5O2/c1-4-5-15-12(20)8-16-14(21)11-7-17-19-10(3)6-9(2)18-13(11)19/h1,6-7H,5,8H2,2-3H3,(H,15,20)(H,16,21)
InChIKeyHNUVMFAITLZTKP-UHFFFAOYSA-N
MW285.31 g/mol
LogP-0.17
Rot. Bonds4

About 5,7-dimethyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5,7-dimethyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 49396849) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 5,7-dimethyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID49396849
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name5,7-dimethyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC#CCNC(=O)CNC(=O)c1cnn2c(C)cc(C)nc12
InChIInChI=1S/C14H15N5O2/c1-4-5-15-12(20)8-16-14(21)11-7-17-19-10(3)6-9(2)18-13(11)19/h1,6-7H,5,8H2,2-3H3,(H,15,20)(H,16,21)
InChIKeyHNUVMFAITLZTKP-UHFFFAOYSA-N
XLogP-0.17
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5,7-dimethyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 49396849) is 5,7-dimethyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is C#CCNC(=O)CNC(=O)c1cnn2c(C)cc(C)nc12.
What is the InChIKey of 5,7-dimethyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HNUVMFAITLZTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-4-5-15-12(20)8-16-14(21)11-7-17-19-10(3)6-9(2)18-13(11)19/h1,6-7H,5,8H2,2-3H3,(H,15,20)(H,16,21).
What are the key properties of 5,7-dimethyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5,7-dimethyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 285.31 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 49396849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).