2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)pyrazine

C19H29N5 — CID 110102304

IUPAC2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)pyrazine
SMILESCC(C)N1CCCC(Cc2cncc(-c3cnn(C(C)C)c3)n2)C1
InChIInChI=1S/C19H29N5/c1-14(2)23-7-5-6-16(12-23)8-18-10-20-11-19(22-18)17-9-21-24(13-17)15(3)4/h9-11,13-16H,5-8,12H2,1-4H3
InChIKeyMYUWHSKJMPWJGQ-UHFFFAOYSA-N
MW327.48 g/mol
LogP3.58
Rot. Bonds5

About 2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)pyrazine

2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)pyrazine (PubChem CID 110102304) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is 2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)pyrazine.

Molecular Properties

Compound Name2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)pyrazine
PubChem CID110102304
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC Name2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)pyrazine
SMILESCC(C)N1CCCC(Cc2cncc(-c3cnn(C(C)C)c3)n2)C1
InChIInChI=1S/C19H29N5/c1-14(2)23-7-5-6-16(12-23)8-18-10-20-11-19(22-18)17-9-21-24(13-17)15(3)4/h9-11,13-16H,5-8,12H2,1-4H3
InChIKeyMYUWHSKJMPWJGQ-UHFFFAOYSA-N
XLogP3.58
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)pyrazine?
The IUPAC name of 2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)pyrazine (CID 110102304) is 2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)pyrazine.
What is the SMILES notation for 2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)pyrazine?
The canonical SMILES for 2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)pyrazine is CC(C)N1CCCC(Cc2cncc(-c3cnn(C(C)C)c3)n2)C1.
What is the InChIKey of 2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)pyrazine?
The InChIKey is MYUWHSKJMPWJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5/c1-14(2)23-7-5-6-16(12-23)8-18-10-20-11-19(22-18)17-9-21-24(13-17)15(3)4/h9-11,13-16H,5-8,12H2,1-4H3.
What are the key properties of 2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)pyrazine?
2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)pyrazine has a molecular weight of 327.48 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)pyrazine is sourced from PubChem (CID 110102304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).