2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazine

C18H27N5 — CID 118740291

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazine
SMILESCc1n[nH]c(C)c1-c1nccnc1CC1CCN(C(C)C)CC1
InChIInChI=1S/C18H27N5/c1-12(2)23-9-5-15(6-10-23)11-16-18(20-8-7-19-16)17-13(3)21-22-14(17)4/h7-8,12,15H,5-6,9-11H2,1-4H3,(H,21,22)
InChIKeyGEFWMCMRMTWZJE-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.15
Rot. Bonds4

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazine

2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazine (PubChem CID 118740291) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazine
PubChem CID118740291
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazine
SMILESCc1n[nH]c(C)c1-c1nccnc1CC1CCN(C(C)C)CC1
InChIInChI=1S/C18H27N5/c1-12(2)23-9-5-15(6-10-23)11-16-18(20-8-7-19-16)17-13(3)21-22-14(17)4/h7-8,12,15H,5-6,9-11H2,1-4H3,(H,21,22)
InChIKeyGEFWMCMRMTWZJE-UHFFFAOYSA-N
XLogP3.15
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazine?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazine (CID 118740291) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazine.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazine?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazine is Cc1n[nH]c(C)c1-c1nccnc1CC1CCN(C(C)C)CC1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazine?
The InChIKey is GEFWMCMRMTWZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-12(2)23-9-5-15(6-10-23)11-16-18(20-8-7-19-16)17-13(3)21-22-14(17)4/h7-8,12,15H,5-6,9-11H2,1-4H3,(H,21,22).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazine?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazine has a molecular weight of 313.45 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazine is sourced from PubChem (CID 118740291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).