N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C26H30N4O2 — CID 2037053

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1c(C)nc2c(-c3ccccc3)c(C)nn2c1NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C26H30N4O2/c1-6-21-17(2)28-26-24(20-10-8-7-9-11-20)18(3)29-30(26)25(21)27-15-14-19-12-13-22(31-4)23(16-19)32-5/h7-13,16,27H,6,14-15H2,1-5H3
InChIKeyNAWWSWPHUXNIPU-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.25
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 2037053) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID2037053
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1c(C)nc2c(-c3ccccc3)c(C)nn2c1NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C26H30N4O2/c1-6-21-17(2)28-26-24(20-10-8-7-9-11-20)18(3)29-30(26)25(21)27-15-14-19-12-13-22(31-4)23(16-19)32-5/h7-13,16,27H,6,14-15H2,1-5H3
InChIKeyNAWWSWPHUXNIPU-UHFFFAOYSA-N
XLogP5.25
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 56835771
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CID 24905153
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CID 42618183
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CID 6622924
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CID 42618178
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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 2037053) is N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is CCc1c(C)nc2c(-c3ccccc3)c(C)nn2c1NCCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NAWWSWPHUXNIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-6-21-17(2)28-26-24(20-10-8-7-9-11-20)18(3)29-30(26)25(21)27-15-14-19-12-13-22(31-4)23(16-19)32-5/h7-13,16,27H,6,14-15H2,1-5H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 430.55 g/mol, XLogP of 5.25, 8 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]-6-ethyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 2037053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).