5-(methoxymethyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C16H22N6O — CID 56913536

IUPAC5-(methoxymethyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cc(N(C)Cc2c(C)nn(C)c2C)n2nccc2n1
InChIInChI=1S/C16H22N6O/c1-11-14(12(2)21(4)19-11)9-20(3)16-8-13(10-23-5)18-15-6-7-17-22(15)16/h6-8H,9-10H2,1-5H3
InChIKeyGNKSPICPNJBLHR-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.86
Rot. Bonds5

About 5-(methoxymethyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

5-(methoxymethyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56913536) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(methoxymethyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56913536
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name5-(methoxymethyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cc(N(C)Cc2c(C)nn(C)c2C)n2nccc2n1
InChIInChI=1S/C16H22N6O/c1-11-14(12(2)21(4)19-11)9-20(3)16-8-13(10-23-5)18-15-6-7-17-22(15)16/h6-8H,9-10H2,1-5H3
InChIKeyGNKSPICPNJBLHR-UHFFFAOYSA-N
XLogP1.86
TPSA60.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(methoxymethyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 56913536) is 5-(methoxymethyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(methoxymethyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(methoxymethyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is COCc1cc(N(C)Cc2c(C)nn(C)c2C)n2nccc2n1.
What is the InChIKey of 5-(methoxymethyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GNKSPICPNJBLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-11-14(12(2)21(4)19-11)9-20(3)16-8-13(10-23-5)18-15-6-7-17-22(15)16/h6-8H,9-10H2,1-5H3.
What are the key properties of 5-(methoxymethyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-(methoxymethyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 314.39 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56913536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).