2-(2-methylpyrazol-3-yl)-5-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazine

C17H25N5 — CID 110101426

IUPAC2-(2-methylpyrazol-3-yl)-5-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazine
SMILESCC(C)N1CCC(Cc2cnc(-c3ccnn3C)cn2)CC1
InChIInChI=1S/C17H25N5/c1-13(2)22-8-5-14(6-9-22)10-15-11-19-16(12-18-15)17-4-7-20-21(17)3/h4,7,11-14H,5-6,8-10H2,1-3H3
InChIKeySCPYNRQMSUHTPT-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.54
Rot. Bonds4

About 2-(2-methylpyrazol-3-yl)-5-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazine

2-(2-methylpyrazol-3-yl)-5-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazine (PubChem CID 110101426) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-(2-methylpyrazol-3-yl)-5-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazine.

Molecular Properties

Compound Name2-(2-methylpyrazol-3-yl)-5-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazine
PubChem CID110101426
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name2-(2-methylpyrazol-3-yl)-5-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazine
SMILESCC(C)N1CCC(Cc2cnc(-c3ccnn3C)cn2)CC1
InChIInChI=1S/C17H25N5/c1-13(2)22-8-5-14(6-9-22)10-15-11-19-16(12-18-15)17-4-7-20-21(17)3/h4,7,11-14H,5-6,8-10H2,1-3H3
InChIKeySCPYNRQMSUHTPT-UHFFFAOYSA-N
XLogP2.54
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrazol-3-yl)-5-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazine?
The IUPAC name of 2-(2-methylpyrazol-3-yl)-5-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazine (CID 110101426) is 2-(2-methylpyrazol-3-yl)-5-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazine.
What is the SMILES notation for 2-(2-methylpyrazol-3-yl)-5-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazine?
The canonical SMILES for 2-(2-methylpyrazol-3-yl)-5-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazine is CC(C)N1CCC(Cc2cnc(-c3ccnn3C)cn2)CC1.
What is the InChIKey of 2-(2-methylpyrazol-3-yl)-5-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazine?
The InChIKey is SCPYNRQMSUHTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-13(2)22-8-5-14(6-9-22)10-15-11-19-16(12-18-15)17-4-7-20-21(17)3/h4,7,11-14H,5-6,8-10H2,1-3H3.
What are the key properties of 2-(2-methylpyrazol-3-yl)-5-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazine?
2-(2-methylpyrazol-3-yl)-5-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazine has a molecular weight of 299.42 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrazol-3-yl)-5-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazine is sourced from PubChem (CID 110101426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).