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

C17H24N6O — CID 135094288

IUPAC5-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(C)n(CCCN(C)Cc2cc(=O)n3[nH]c(C)cc3n2)n1
InChIInChI=1S/C17H24N6O/c1-12-8-14(3)22(19-12)7-5-6-21(4)11-15-10-17(24)23-16(18-15)9-13(2)20-23/h8-10,20H,5-7,11H2,1-4H3
InChIKeyBTNSVVUWXVQOPW-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.67
Rot. Bonds6

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

5-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 135094288) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID135094288
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name5-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(C)n(CCCN(C)Cc2cc(=O)n3[nH]c(C)cc3n2)n1
InChIInChI=1S/C17H24N6O/c1-12-8-14(3)22(19-12)7-5-6-21(4)11-15-10-17(24)23-16(18-15)9-13(2)20-23/h8-10,20H,5-7,11H2,1-4H3
InChIKeyBTNSVVUWXVQOPW-UHFFFAOYSA-N
XLogP1.67
TPSA71.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 135094288) is 5-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc(C)n(CCCN(C)Cc2cc(=O)n3[nH]c(C)cc3n2)n1.
What is the InChIKey of 5-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BTNSVVUWXVQOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-12-8-14(3)22(19-12)7-5-6-21(4)11-15-10-17(24)23-16(18-15)9-13(2)20-23/h8-10,20H,5-7,11H2,1-4H3.
What are the key properties of 5-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[[3-(3,5-dimethylpyrazol-1-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 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 135094288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).