N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]cyclopropanecarboxamide

C13H16N4O — CID 110478133

IUPACN-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]cyclopropanecarboxamide
SMILESCc1cc(C)n2ncc(CNC(=O)C3CC3)c2n1
InChIInChI=1S/C13H16N4O/c1-8-5-9(2)17-12(16-8)11(7-15-17)6-14-13(18)10-3-4-10/h5,7,10H,3-4,6H2,1-2H3,(H,14,18)
InChIKeyVPZADSJPADOXPM-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.37
Rot. Bonds3

About N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]cyclopropanecarboxamide

N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]cyclopropanecarboxamide (PubChem CID 110478133) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]cyclopropanecarboxamide
PubChem CID110478133
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]cyclopropanecarboxamide
SMILESCc1cc(C)n2ncc(CNC(=O)C3CC3)c2n1
InChIInChI=1S/C13H16N4O/c1-8-5-9(2)17-12(16-8)11(7-15-17)6-14-13(18)10-3-4-10/h5,7,10H,3-4,6H2,1-2H3,(H,14,18)
InChIKeyVPZADSJPADOXPM-UHFFFAOYSA-N
XLogP1.37
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]cyclopropanecarboxamide (CID 110478133) is N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]cyclopropanecarboxamide is Cc1cc(C)n2ncc(CNC(=O)C3CC3)c2n1.
What is the InChIKey of N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]cyclopropanecarboxamide?
The InChIKey is VPZADSJPADOXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-8-5-9(2)17-12(16-8)11(7-15-17)6-14-13(18)10-3-4-10/h5,7,10H,3-4,6H2,1-2H3,(H,14,18).
What are the key properties of N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]cyclopropanecarboxamide?
N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]cyclopropanecarboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 110478133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).