2-[(E)-1-(1-propan-2-ylpyrazol-4-yl)prop-1-en-2-yl]pyrazine

C13H16N4 — CID 99824171

IUPAC2-[(E)-1-(1-propan-2-ylpyrazol-4-yl)prop-1-en-2-yl]pyrazine
SMILESC/C(=C\c1cnn(C(C)C)c1)c1cnccn1
InChIInChI=1S/C13H16N4/c1-10(2)17-9-12(7-16-17)6-11(3)13-8-14-4-5-15-13/h4-10H,1-3H3/b11-6+
InChIKeyGJTFKYTXEMTTTA-IZZDOVSWSA-N
MW228.30 g/mol
LogP2.81
Rot. Bonds3

About 2-[(E)-1-(1-propan-2-ylpyrazol-4-yl)prop-1-en-2-yl]pyrazine

2-[(E)-1-(1-propan-2-ylpyrazol-4-yl)prop-1-en-2-yl]pyrazine (PubChem CID 99824171) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-[(E)-1-(1-propan-2-ylpyrazol-4-yl)prop-1-en-2-yl]pyrazine.

Molecular Properties

Compound Name2-[(E)-1-(1-propan-2-ylpyrazol-4-yl)prop-1-en-2-yl]pyrazine
PubChem CID99824171
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name2-[(E)-1-(1-propan-2-ylpyrazol-4-yl)prop-1-en-2-yl]pyrazine
SMILESC/C(=C\c1cnn(C(C)C)c1)c1cnccn1
InChIInChI=1S/C13H16N4/c1-10(2)17-9-12(7-16-17)6-11(3)13-8-14-4-5-15-13/h4-10H,1-3H3/b11-6+
InChIKeyGJTFKYTXEMTTTA-IZZDOVSWSA-N
XLogP2.81
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-(1-propan-2-ylpyrazol-4-yl)prop-1-en-2-yl]pyrazine?
The IUPAC name of 2-[(E)-1-(1-propan-2-ylpyrazol-4-yl)prop-1-en-2-yl]pyrazine (CID 99824171) is 2-[(E)-1-(1-propan-2-ylpyrazol-4-yl)prop-1-en-2-yl]pyrazine.
What is the SMILES notation for 2-[(E)-1-(1-propan-2-ylpyrazol-4-yl)prop-1-en-2-yl]pyrazine?
The canonical SMILES for 2-[(E)-1-(1-propan-2-ylpyrazol-4-yl)prop-1-en-2-yl]pyrazine is C/C(=C\c1cnn(C(C)C)c1)c1cnccn1.
What is the InChIKey of 2-[(E)-1-(1-propan-2-ylpyrazol-4-yl)prop-1-en-2-yl]pyrazine?
The InChIKey is GJTFKYTXEMTTTA-IZZDOVSWSA-N. The full InChI is InChI=1S/C13H16N4/c1-10(2)17-9-12(7-16-17)6-11(3)13-8-14-4-5-15-13/h4-10H,1-3H3/b11-6+.
What are the key properties of 2-[(E)-1-(1-propan-2-ylpyrazol-4-yl)prop-1-en-2-yl]pyrazine?
2-[(E)-1-(1-propan-2-ylpyrazol-4-yl)prop-1-en-2-yl]pyrazine has a molecular weight of 228.30 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-(1-propan-2-ylpyrazol-4-yl)prop-1-en-2-yl]pyrazine is sourced from PubChem (CID 99824171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).