2-(2-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine

C21H19ClN4O3 — CID 46943690

IUPAC2-(2-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1cc(Nc2ccn3nc(-c4ccccc4Cl)cc3n2)cc(OC)c1OC
InChIInChI=1S/C21H19ClN4O3/c1-27-17-10-13(11-18(28-2)21(17)29-3)23-19-8-9-26-20(24-19)12-16(25-26)14-6-4-5-7-15(14)22/h4-12H,1-3H3,(H,23,24)
InChIKeyWIEYMDVMRGJQDT-UHFFFAOYSA-N
MW410.86 g/mol
LogP4.82
Rot. Bonds6

About 2-(2-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine

2-(2-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 46943690) has the molecular formula C21H19ClN4O3 and a molecular weight of 410.86 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID46943690
Molecular FormulaC21H19ClN4O3
Molecular Weight410.86 g/mol
Exact Mass410.11
IUPAC Name2-(2-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1cc(Nc2ccn3nc(-c4ccccc4Cl)cc3n2)cc(OC)c1OC
InChIInChI=1S/C21H19ClN4O3/c1-27-17-10-13(11-18(28-2)21(17)29-3)23-19-8-9-26-20(24-19)12-16(25-26)14-6-4-5-7-15(14)22/h4-12H,1-3H3,(H,23,24)
InChIKeyWIEYMDVMRGJQDT-UHFFFAOYSA-N
XLogP4.82
TPSA69.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 46943690) is 2-(2-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine is COc1cc(Nc2ccn3nc(-c4ccccc4Cl)cc3n2)cc(OC)c1OC.
What is the InChIKey of 2-(2-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is WIEYMDVMRGJQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O3/c1-27-17-10-13(11-18(28-2)21(17)29-3)23-19-8-9-26-20(24-19)12-16(25-26)14-6-4-5-7-15(14)22/h4-12H,1-3H3,(H,23,24).
What are the key properties of 2-(2-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
2-(2-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 410.86 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 46943690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).