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

C24H25ClN4O2 — CID 3379329

IUPAC3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(CCNc2cc(C)nc3c(-c4ccc(Cl)cc4)c(C)nn23)cc1OC
InChIInChI=1S/C24H25ClN4O2/c1-15-13-22(26-12-11-17-5-10-20(30-3)21(14-17)31-4)29-24(27-15)23(16(2)28-29)18-6-8-19(25)9-7-18/h5-10,13-14,26H,11-12H2,1-4H3
InChIKeyJIPMLKPLJQQBCK-UHFFFAOYSA-N
MW436.94 g/mol
LogP5.34
Rot. Bonds7

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

3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 3379329) has the molecular formula C24H25ClN4O2 and a molecular weight of 436.94 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID3379329
Molecular FormulaC24H25ClN4O2
Molecular Weight436.94 g/mol
Exact Mass436.17
IUPAC Name3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(CCNc2cc(C)nc3c(-c4ccc(Cl)cc4)c(C)nn23)cc1OC
InChIInChI=1S/C24H25ClN4O2/c1-15-13-22(26-12-11-17-5-10-20(30-3)21(14-17)31-4)29-24(27-15)23(16(2)28-29)18-6-8-19(25)9-7-18/h5-10,13-14,26H,11-12H2,1-4H3
InChIKeyJIPMLKPLJQQBCK-UHFFFAOYSA-N
XLogP5.34
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.94
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (CID 3379329) is 3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is COc1ccc(CCNc2cc(C)nc3c(-c4ccc(Cl)cc4)c(C)nn23)cc1OC.
What is the InChIKey of 3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JIPMLKPLJQQBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O2/c1-15-13-22(26-12-11-17-5-10-20(30-3)21(14-17)31-4)29-24(27-15)23(16(2)28-29)18-6-8-19(25)9-7-18/h5-10,13-14,26H,11-12H2,1-4H3.
What are the key properties of 3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 436.94 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 3379329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).