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

C16H23N5 — CID 118740273

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-methylpiperidin-3-yl)methyl]pyrazine
SMILESCc1n[nH]c(C)c1-c1nccnc1CC1CCCN(C)C1
InChIInChI=1S/C16H23N5/c1-11-15(12(2)20-19-11)16-14(17-6-7-18-16)9-13-5-4-8-21(3)10-13/h6-7,13H,4-5,8-10H2,1-3H3,(H,19,20)
InChIKeyNGCYUUNTESXWGO-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.37
Rot. Bonds3

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

2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-methylpiperidin-3-yl)methyl]pyrazine (PubChem CID 118740273) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-methylpiperidin-3-yl)methyl]pyrazine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-methylpiperidin-3-yl)methyl]pyrazine
PubChem CID118740273
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-methylpiperidin-3-yl)methyl]pyrazine
SMILESCc1n[nH]c(C)c1-c1nccnc1CC1CCCN(C)C1
InChIInChI=1S/C16H23N5/c1-11-15(12(2)20-19-11)16-14(17-6-7-18-16)9-13-5-4-8-21(3)10-13/h6-7,13H,4-5,8-10H2,1-3H3,(H,19,20)
InChIKeyNGCYUUNTESXWGO-UHFFFAOYSA-N
XLogP2.37
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.37
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-methylpiperidin-3-yl)methyl]pyrazine?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-methylpiperidin-3-yl)methyl]pyrazine (CID 118740273) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-methylpiperidin-3-yl)methyl]pyrazine.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-methylpiperidin-3-yl)methyl]pyrazine?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-methylpiperidin-3-yl)methyl]pyrazine is Cc1n[nH]c(C)c1-c1nccnc1CC1CCCN(C)C1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-methylpiperidin-3-yl)methyl]pyrazine?
The InChIKey is NGCYUUNTESXWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-11-15(12(2)20-19-11)16-14(17-6-7-18-16)9-13-5-4-8-21(3)10-13/h6-7,13H,4-5,8-10H2,1-3H3,(H,19,20).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-methylpiperidin-3-yl)methyl]pyrazine?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-methylpiperidin-3-yl)methyl]pyrazine has a molecular weight of 285.39 g/mol, XLogP of 2.37, 3 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-methylpiperidin-3-yl)methyl]pyrazine is sourced from PubChem (CID 118740273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).