5-methyl-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

C14H15N5O3 — CID 164630048

IUPAC5-methyl-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1nc2ccnn2cc1C(=O)N[C@H]1CCC(=O)N(C)C1=O
InChIInChI=1S/C14H15N5O3/c1-8-9(7-19-11(16-8)5-6-15-19)13(21)17-10-3-4-12(20)18(2)14(10)22/h5-7,10H,3-4H2,1-2H3,(H,17,21)/t10-/m0/s1
InChIKeyCEDMUCJMUILQEN-JTQLQIEISA-N
MW301.31 g/mol
LogP-0.09
Rot. Bonds2

About 5-methyl-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

5-methyl-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 164630048) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is 5-methyl-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID164630048
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC Name5-methyl-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1nc2ccnn2cc1C(=O)N[C@H]1CCC(=O)N(C)C1=O
InChIInChI=1S/C14H15N5O3/c1-8-9(7-19-11(16-8)5-6-15-19)13(21)17-10-3-4-12(20)18(2)14(10)22/h5-7,10H,3-4H2,1-2H3,(H,17,21)/t10-/m0/s1
InChIKeyCEDMUCJMUILQEN-JTQLQIEISA-N
XLogP-0.09
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 57395914
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CID 122181624
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CID 122515235
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CID 122540837
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CID 137449394
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CID 162666339

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 164630048) is 5-methyl-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1nc2ccnn2cc1C(=O)N[C@H]1CCC(=O)N(C)C1=O.
What is the InChIKey of 5-methyl-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is CEDMUCJMUILQEN-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15N5O3/c1-8-9(7-19-11(16-8)5-6-15-19)13(21)17-10-3-4-12(20)18(2)14(10)22/h5-7,10H,3-4H2,1-2H3,(H,17,21)/t10-/m0/s1.
What are the key properties of 5-methyl-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
5-methyl-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 301.31 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 164630048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).