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

C17H27N7 — CID 56788053

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)propyl]pyrazin-2-amine
SMILESCc1cc(C)n(-c2cncc(NCC(C)N3CCN(C)CC3)n2)n1
InChIInChI=1S/C17H27N7/c1-13-9-14(2)24(21-13)17-12-18-11-16(20-17)19-10-15(3)23-7-5-22(4)6-8-23/h9,11-12,15H,5-8,10H2,1-4H3,(H,19,20)
InChIKeyJZASAZCJWXTMCV-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.33
Rot. Bonds5

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

6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)propyl]pyrazin-2-amine (PubChem CID 56788053) has the molecular formula C17H27N7 and a molecular weight of 329.45 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)propyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)propyl]pyrazin-2-amine
PubChem CID56788053
Molecular FormulaC17H27N7
Molecular Weight329.45 g/mol
Exact Mass329.23
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)propyl]pyrazin-2-amine
SMILESCc1cc(C)n(-c2cncc(NCC(C)N3CCN(C)CC3)n2)n1
InChIInChI=1S/C17H27N7/c1-13-9-14(2)24(21-13)17-12-18-11-16(20-17)19-10-15(3)23-7-5-22(4)6-8-23/h9,11-12,15H,5-8,10H2,1-4H3,(H,19,20)
InChIKeyJZASAZCJWXTMCV-UHFFFAOYSA-N
XLogP1.33
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazin-2-amine
CID 133283125
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]pyrazin-2-amine
CID 133284960
2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrazine
CID 133273834
(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propan-1-ol
CID 133428096
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 166183273
2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetic acid
CID 122047288
6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylsulfonylbutan-2-yl)pyrazin-2-amine
CID 133386821
(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanoic acid
CID 122049461
6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrazin-2-amine
CID 133283269
N-cyclooctyl-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 71885724
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 56823393
3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 133283577

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)propyl]pyrazin-2-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)propyl]pyrazin-2-amine (CID 56788053) is 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)propyl]pyrazin-2-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)propyl]pyrazin-2-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)propyl]pyrazin-2-amine is Cc1cc(C)n(-c2cncc(NCC(C)N3CCN(C)CC3)n2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)propyl]pyrazin-2-amine?
The InChIKey is JZASAZCJWXTMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7/c1-13-9-14(2)24(21-13)17-12-18-11-16(20-17)19-10-15(3)23-7-5-22(4)6-8-23/h9,11-12,15H,5-8,10H2,1-4H3,(H,19,20).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)propyl]pyrazin-2-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)propyl]pyrazin-2-amine has a molecular weight of 329.45 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)propyl]pyrazin-2-amine is sourced from PubChem (CID 56788053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).