N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C23H24N4O2 — CID 3842722

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(CCNc2cc(C)nc3c(-c4ccccc4)cnn23)cc1OC
InChIInChI=1S/C23H24N4O2/c1-16-13-22(24-12-11-17-9-10-20(28-2)21(14-17)29-3)27-23(26-16)19(15-25-27)18-7-5-4-6-8-18/h4-10,13-15,24H,11-12H2,1-3H3
InChIKeyAITOBCAVQXSDET-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.38
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 3842722) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID3842722
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(CCNc2cc(C)nc3c(-c4ccccc4)cnn23)cc1OC
InChIInChI=1S/C23H24N4O2/c1-16-13-22(24-12-11-17-9-10-20(28-2)21(14-17)29-3)27-23(26-16)19(15-25-27)18-7-5-4-6-8-18/h4-10,13-15,24H,11-12H2,1-3H3
InChIKeyAITOBCAVQXSDET-UHFFFAOYSA-N
XLogP4.38
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 3842722) is N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is COc1ccc(CCNc2cc(C)nc3c(-c4ccccc4)cnn23)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is AITOBCAVQXSDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-16-13-22(24-12-11-17-9-10-20(28-2)21(14-17)29-3)27-23(26-16)19(15-25-27)18-7-5-4-6-8-18/h4-10,13-15,24H,11-12H2,1-3H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 388.47 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 3842722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).