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

C24H26N4O2 — CID 46299069

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(CCNc2cc(C)nc3c(C)c(-c4ccccc4)nn23)cc1OC
InChIInChI=1S/C24H26N4O2/c1-16-14-22(25-13-12-18-10-11-20(29-3)21(15-18)30-4)28-24(26-16)17(2)23(27-28)19-8-6-5-7-9-19/h5-11,14-15,25H,12-13H2,1-4H3
InChIKeyXVRDRMBWNPOYJU-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.68
Rot. Bonds7

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 46299069) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID46299069
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(CCNc2cc(C)nc3c(C)c(-c4ccccc4)nn23)cc1OC
InChIInChI=1S/C24H26N4O2/c1-16-14-22(25-13-12-18-10-11-20(29-3)21(15-18)30-4)28-24(26-16)17(2)23(27-28)19-8-6-5-7-9-19/h5-11,14-15,25H,12-13H2,1-4H3
InChIKeyXVRDRMBWNPOYJU-UHFFFAOYSA-N
XLogP4.68
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.68
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]-3,5-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 46299069) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine is COc1ccc(CCNc2cc(C)nc3c(C)c(-c4ccccc4)nn23)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is XVRDRMBWNPOYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-16-14-22(25-13-12-18-10-11-20(29-3)21(15-18)30-4)28-24(26-16)17(2)23(27-28)19-8-6-5-7-9-19/h5-11,14-15,25H,12-13H2,1-4H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 402.50 g/mol, XLogP of 4.68, 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]-3,5-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 46299069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).