3-amino-2-methyl-N-pyrazolo[1,5-a]pyrimidin-7-ylbutanamide

C11H15N5O — CID 120500372

IUPAC3-amino-2-methyl-N-pyrazolo[1,5-a]pyrimidin-7-ylbutanamide
SMILESCC(N)C(C)C(=O)Nc1ccnc2ccnn12
InChIInChI=1S/C11H15N5O/c1-7(8(2)12)11(17)15-10-3-5-13-9-4-6-14-16(9)10/h3-8H,12H2,1-2H3,(H,15,17)
InChIKeyBPLAJNPRMGJZHR-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.65
Rot. Bonds3

About 3-amino-2-methyl-N-pyrazolo[1,5-a]pyrimidin-7-ylbutanamide

3-amino-2-methyl-N-pyrazolo[1,5-a]pyrimidin-7-ylbutanamide (PubChem CID 120500372) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 3-amino-2-methyl-N-pyrazolo[1,5-a]pyrimidin-7-ylbutanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-pyrazolo[1,5-a]pyrimidin-7-ylbutanamide
PubChem CID120500372
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name3-amino-2-methyl-N-pyrazolo[1,5-a]pyrimidin-7-ylbutanamide
SMILESCC(N)C(C)C(=O)Nc1ccnc2ccnn12
InChIInChI=1S/C11H15N5O/c1-7(8(2)12)11(17)15-10-3-5-13-9-4-6-14-16(9)10/h3-8H,12H2,1-2H3,(H,15,17)
InChIKeyBPLAJNPRMGJZHR-UHFFFAOYSA-N
XLogP0.65
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-pyrazolo[1,5-a]pyrimidin-7-ylbutanamide?
The IUPAC name of 3-amino-2-methyl-N-pyrazolo[1,5-a]pyrimidin-7-ylbutanamide (CID 120500372) is 3-amino-2-methyl-N-pyrazolo[1,5-a]pyrimidin-7-ylbutanamide.
What is the SMILES notation for 3-amino-2-methyl-N-pyrazolo[1,5-a]pyrimidin-7-ylbutanamide?
The canonical SMILES for 3-amino-2-methyl-N-pyrazolo[1,5-a]pyrimidin-7-ylbutanamide is CC(N)C(C)C(=O)Nc1ccnc2ccnn12.
What is the InChIKey of 3-amino-2-methyl-N-pyrazolo[1,5-a]pyrimidin-7-ylbutanamide?
The InChIKey is BPLAJNPRMGJZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-7(8(2)12)11(17)15-10-3-5-13-9-4-6-14-16(9)10/h3-8H,12H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-2-methyl-N-pyrazolo[1,5-a]pyrimidin-7-ylbutanamide?
3-amino-2-methyl-N-pyrazolo[1,5-a]pyrimidin-7-ylbutanamide has a molecular weight of 233.28 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-pyrazolo[1,5-a]pyrimidin-7-ylbutanamide is sourced from PubChem (CID 120500372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).