5-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H24N6O — CID 134699546

IUPAC5-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(CN(C)CCCc3c(C)n[nH]c3C)cc(=O)n2[nH]1
InChIInChI=1S/C17H24N6O/c1-11-8-16-18-14(9-17(24)23(16)21-11)10-22(4)7-5-6-15-12(2)19-20-13(15)3/h8-9,21H,5-7,10H2,1-4H3,(H,19,20)
InChIKeyBDJVUGYEWUJKIX-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.74
Rot. Bonds6

About 5-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134699546) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID134699546
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name5-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(CN(C)CCCc3c(C)n[nH]c3C)cc(=O)n2[nH]1
InChIInChI=1S/C17H24N6O/c1-11-8-16-18-14(9-17(24)23(16)21-11)10-22(4)7-5-6-15-12(2)19-20-13(15)3/h8-9,21H,5-7,10H2,1-4H3,(H,19,20)
InChIKeyBDJVUGYEWUJKIX-UHFFFAOYSA-N
XLogP1.74
TPSA82.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134699546) is 5-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2nc(CN(C)CCCc3c(C)n[nH]c3C)cc(=O)n2[nH]1.
What is the InChIKey of 5-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BDJVUGYEWUJKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-11-8-16-18-14(9-17(24)23(16)21-11)10-22(4)7-5-6-15-12(2)19-20-13(15)3/h8-9,21H,5-7,10H2,1-4H3,(H,19,20).
What are the key properties of 5-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 328.42 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134699546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).