6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrazin-2-amine

C20H25N5O3 — CID 133283269

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrazin-2-amine
SMILESCOc1cc(C(C)Nc2cncc(-n3nc(C)cc3C)n2)cc(OC)c1OC
InChIInChI=1S/C20H25N5O3/c1-12-7-13(2)25(24-12)19-11-21-10-18(23-19)22-14(3)15-8-16(26-4)20(28-6)17(9-15)27-5/h7-11,14H,1-6H3,(H,22,23)
InChIKeyMZVAMLDIVPDNEN-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.48
Rot. Bonds7

About 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrazin-2-amine

6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrazin-2-amine (PubChem CID 133283269) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrazin-2-amine
PubChem CID133283269
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrazin-2-amine
SMILESCOc1cc(C(C)Nc2cncc(-n3nc(C)cc3C)n2)cc(OC)c1OC
InChIInChI=1S/C20H25N5O3/c1-12-7-13(2)25(24-12)19-11-21-10-18(23-19)22-14(3)15-8-16(26-4)20(28-6)17(9-15)27-5/h7-11,14H,1-6H3,(H,22,23)
InChIKeyMZVAMLDIVPDNEN-UHFFFAOYSA-N
XLogP3.48
TPSA83.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazin-2-amine
CID 133273936
(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propan-1-ol
CID 133428096
(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanoic acid
CID 122049461
6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrazin-2-amine
CID 133346267
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)propyl]pyrazin-2-amine
CID 56788053
1-[3-[1-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]pyrrolidin-2-one
CID 133284309
6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylsulfonylbutan-2-yl)pyrazin-2-amine
CID 133386821
N-[(5-bromo-2-methoxyphenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 133284649
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazin-2-amine
CID 133283125
N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 25230411
2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetic acid
CID 122047288
N-cyclooctyl-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 71885724

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrazin-2-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrazin-2-amine (CID 133283269) is 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrazin-2-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrazin-2-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrazin-2-amine is COc1cc(C(C)Nc2cncc(-n3nc(C)cc3C)n2)cc(OC)c1OC.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrazin-2-amine?
The InChIKey is MZVAMLDIVPDNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-12-7-13(2)25(24-12)19-11-21-10-18(23-19)22-14(3)15-8-16(26-4)20(28-6)17(9-15)27-5/h7-11,14H,1-6H3,(H,22,23).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrazin-2-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrazin-2-amine has a molecular weight of 383.45 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrazin-2-amine is sourced from PubChem (CID 133283269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).