2-[(1-propan-2-ylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)pyrazine

C16H23N5 — CID 110102359

IUPAC2-[(1-propan-2-ylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)pyrazine
SMILESCC(C)N1CCC(Cc2cnc(-c3cn[nH]c3)cn2)CC1
InChIInChI=1S/C16H23N5/c1-12(2)21-5-3-13(4-6-21)7-15-10-18-16(11-17-15)14-8-19-20-9-14/h8-13H,3-7H2,1-2H3,(H,19,20)
InChIKeyQLDHRVKREVAQOF-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.53
Rot. Bonds4

About 2-[(1-propan-2-ylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)pyrazine

2-[(1-propan-2-ylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)pyrazine (PubChem CID 110102359) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[(1-propan-2-ylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)pyrazine.

Molecular Properties

Compound Name2-[(1-propan-2-ylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)pyrazine
PubChem CID110102359
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name2-[(1-propan-2-ylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)pyrazine
SMILESCC(C)N1CCC(Cc2cnc(-c3cn[nH]c3)cn2)CC1
InChIInChI=1S/C16H23N5/c1-12(2)21-5-3-13(4-6-21)7-15-10-18-16(11-17-15)14-8-19-20-9-14/h8-13H,3-7H2,1-2H3,(H,19,20)
InChIKeyQLDHRVKREVAQOF-UHFFFAOYSA-N
XLogP2.53
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)pyrazine?
The IUPAC name of 2-[(1-propan-2-ylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)pyrazine (CID 110102359) is 2-[(1-propan-2-ylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)pyrazine.
What is the SMILES notation for 2-[(1-propan-2-ylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)pyrazine?
The canonical SMILES for 2-[(1-propan-2-ylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)pyrazine is CC(C)N1CCC(Cc2cnc(-c3cn[nH]c3)cn2)CC1.
What is the InChIKey of 2-[(1-propan-2-ylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)pyrazine?
The InChIKey is QLDHRVKREVAQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-12(2)21-5-3-13(4-6-21)7-15-10-18-16(11-17-15)14-8-19-20-9-14/h8-13H,3-7H2,1-2H3,(H,19,20).
What are the key properties of 2-[(1-propan-2-ylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)pyrazine?
2-[(1-propan-2-ylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)pyrazine has a molecular weight of 285.39 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)pyrazine is sourced from PubChem (CID 110102359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).