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

C16H18N4O3 — CID 141119651

IUPACN-methyl-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCNc1ccnc2c(-c3cc(OC)c(OC)c(OC)c3)cnn12
InChIInChI=1S/C16H18N4O3/c1-17-14-5-6-18-16-11(9-19-20(14)16)10-7-12(21-2)15(23-4)13(8-10)22-3/h5-9,17H,1-4H3
InChIKeyQVWGRMYBZJEECC-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.46
Rot. Bonds5

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

N-methyl-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 141119651) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is N-methyl-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-methyl-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID141119651
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC NameN-methyl-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCNc1ccnc2c(-c3cc(OC)c(OC)c(OC)c3)cnn12
InChIInChI=1S/C16H18N4O3/c1-17-14-5-6-18-16-11(9-19-20(14)16)10-7-12(21-2)15(23-4)13(8-10)22-3/h5-9,17H,1-4H3
InChIKeyQVWGRMYBZJEECC-UHFFFAOYSA-N
XLogP2.46
TPSA69.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-methyl-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 141119651) is N-methyl-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-methyl-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-methyl-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is CNc1ccnc2c(-c3cc(OC)c(OC)c(OC)c3)cnn12.
What is the InChIKey of N-methyl-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QVWGRMYBZJEECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-17-14-5-6-18-16-11(9-19-20(14)16)10-7-12(21-2)15(23-4)13(8-10)22-3/h5-9,17H,1-4H3.
What are the key properties of N-methyl-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
N-methyl-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 314.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 141119651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).