2-(5-methyl-1H-pyrazol-3-yl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazine

C17H25N5 — CID 110101517

IUPAC2-(5-methyl-1H-pyrazol-3-yl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazine
SMILESCc1cc(-c2nccnc2CC2CCCN(C(C)C)C2)n[nH]1
InChIInChI=1S/C17H25N5/c1-12(2)22-8-4-5-14(11-22)10-15-17(19-7-6-18-15)16-9-13(3)20-21-16/h6-7,9,12,14H,4-5,8,10-11H2,1-3H3,(H,20,21)
InChIKeyNFPXYBLOKYBVOG-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.84
Rot. Bonds4

About 2-(5-methyl-1H-pyrazol-3-yl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazine

2-(5-methyl-1H-pyrazol-3-yl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazine (PubChem CID 110101517) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-(5-methyl-1H-pyrazol-3-yl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazine.

Molecular Properties

Compound Name2-(5-methyl-1H-pyrazol-3-yl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazine
PubChem CID110101517
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name2-(5-methyl-1H-pyrazol-3-yl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazine
SMILESCc1cc(-c2nccnc2CC2CCCN(C(C)C)C2)n[nH]1
InChIInChI=1S/C17H25N5/c1-12(2)22-8-4-5-14(11-22)10-15-17(19-7-6-18-15)16-9-13(3)20-21-16/h6-7,9,12,14H,4-5,8,10-11H2,1-3H3,(H,20,21)
InChIKeyNFPXYBLOKYBVOG-UHFFFAOYSA-N
XLogP2.84
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazine?
The IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazine (CID 110101517) is 2-(5-methyl-1H-pyrazol-3-yl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazine.
What is the SMILES notation for 2-(5-methyl-1H-pyrazol-3-yl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazine?
The canonical SMILES for 2-(5-methyl-1H-pyrazol-3-yl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazine is Cc1cc(-c2nccnc2CC2CCCN(C(C)C)C2)n[nH]1.
What is the InChIKey of 2-(5-methyl-1H-pyrazol-3-yl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazine?
The InChIKey is NFPXYBLOKYBVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-12(2)22-8-4-5-14(11-22)10-15-17(19-7-6-18-15)16-9-13(3)20-21-16/h6-7,9,12,14H,4-5,8,10-11H2,1-3H3,(H,20,21).
What are the key properties of 2-(5-methyl-1H-pyrazol-3-yl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazine?
2-(5-methyl-1H-pyrazol-3-yl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazine has a molecular weight of 299.42 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-pyrazol-3-yl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazine is sourced from PubChem (CID 110101517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).