N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C16H22N6O — CID 56902009

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cc(NCCCn2nc(C)cc2C)n2nccc2n1
InChIInChI=1S/C16H22N6O/c1-12-9-13(2)21(20-12)8-4-6-17-16-10-14(11-23-3)19-15-5-7-18-22(15)16/h5,7,9-10,17H,4,6,8,11H2,1-3H3
InChIKeyXRHGMWYCWFJASH-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.19
Rot. Bonds7

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56902009) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56902009
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cc(NCCCn2nc(C)cc2C)n2nccc2n1
InChIInChI=1S/C16H22N6O/c1-12-9-13(2)21(20-12)8-4-6-17-16-10-14(11-23-3)19-15-5-7-18-22(15)16/h5,7,9-10,17H,4,6,8,11H2,1-3H3
InChIKeyXRHGMWYCWFJASH-UHFFFAOYSA-N
XLogP2.19
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 56902009) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine is COCc1cc(NCCCn2nc(C)cc2C)n2nccc2n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is XRHGMWYCWFJASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-12-9-13(2)21(20-12)8-4-6-17-16-10-14(11-23-3)19-15-5-7-18-22(15)16/h5,7,9-10,17H,4,6,8,11H2,1-3H3.
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 314.39 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56902009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).