2-(1-methylpyrazol-4-yl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine

C21H24N6 — CID 163354935

IUPAC2-(1-methylpyrazol-4-yl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine
SMILESCn1cc(-c2cncc(N3CCN(C/C=C/c4ccccc4)CC3)n2)cn1
InChIInChI=1S/C21H24N6/c1-25-17-19(14-23-25)20-15-22-16-21(24-20)27-12-10-26(11-13-27)9-5-8-18-6-3-2-4-7-18/h2-8,14-17H,9-13H2,1H3/b8-5+
InChIKeyRYTNHSIXKLORMF-VMPITWQZSA-N
MW360.47 g/mol
LogP2.71
Rot. Bonds5

About 2-(1-methylpyrazol-4-yl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine

2-(1-methylpyrazol-4-yl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine (PubChem CID 163354935) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine
PubChem CID163354935
Molecular FormulaC21H24N6
Molecular Weight360.47 g/mol
Exact Mass360.21
IUPAC Name2-(1-methylpyrazol-4-yl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine
SMILESCn1cc(-c2cncc(N3CCN(C/C=C/c4ccccc4)CC3)n2)cn1
InChIInChI=1S/C21H24N6/c1-25-17-19(14-23-25)20-15-22-16-21(24-20)27-12-10-26(11-13-27)9-5-8-18-6-3-2-4-7-18/h2-8,14-17H,9-13H2,1H3/b8-5+
InChIKeyRYTNHSIXKLORMF-VMPITWQZSA-N
XLogP2.71
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine
CID 51308937
6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 56702748
2-(1-methylpyrazol-4-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine
CID 163352906
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine
CID 163352896
2,4-dimethyl-6-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]pyrimidine
CID 163354789
2-(4-ethylpiperazin-1-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine
CID 112888421
5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-3-amine
CID 112938955
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
CID 54155520
5-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 163354824
4,5-dimethyl-6-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]pyrimidine
CID 163351387
3-[2-methyl-6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 171134905
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine
CID 171148555

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine (CID 163354935) is 2-(1-methylpyrazol-4-yl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine is Cn1cc(-c2cncc(N3CCN(C/C=C/c4ccccc4)CC3)n2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine?
The InChIKey is RYTNHSIXKLORMF-VMPITWQZSA-N. The full InChI is InChI=1S/C21H24N6/c1-25-17-19(14-23-25)20-15-22-16-21(24-20)27-12-10-26(11-13-27)9-5-8-18-6-3-2-4-7-18/h2-8,14-17H,9-13H2,1H3/b8-5+.
What are the key properties of 2-(1-methylpyrazol-4-yl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine?
2-(1-methylpyrazol-4-yl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine has a molecular weight of 360.47 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine is sourced from PubChem (CID 163354935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).