2-(piperidin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazine

C16H23N5 — CID 110102191

IUPAC2-(piperidin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazine
SMILESCc1nn(C)c(C)c1-c1nccnc1CC1CCNCC1
InChIInChI=1S/C16H23N5/c1-11-15(12(2)21(3)20-11)16-14(18-8-9-19-16)10-13-4-6-17-7-5-13/h8-9,13,17H,4-7,10H2,1-3H3
InChIKeyKVUSUWHSTRCMCY-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.04
Rot. Bonds3

About 2-(piperidin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazine

2-(piperidin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazine (PubChem CID 110102191) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(piperidin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazine.

Molecular Properties

Compound Name2-(piperidin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazine
PubChem CID110102191
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name2-(piperidin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazine
SMILESCc1nn(C)c(C)c1-c1nccnc1CC1CCNCC1
InChIInChI=1S/C16H23N5/c1-11-15(12(2)21(3)20-11)16-14(18-8-9-19-16)10-13-4-6-17-7-5-13/h8-9,13,17H,4-7,10H2,1-3H3
InChIKeyKVUSUWHSTRCMCY-UHFFFAOYSA-N
XLogP2.04
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazine?
The IUPAC name of 2-(piperidin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazine (CID 110102191) is 2-(piperidin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazine.
What is the SMILES notation for 2-(piperidin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazine?
The canonical SMILES for 2-(piperidin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazine is Cc1nn(C)c(C)c1-c1nccnc1CC1CCNCC1.
What is the InChIKey of 2-(piperidin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazine?
The InChIKey is KVUSUWHSTRCMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-11-15(12(2)21(3)20-11)16-14(18-8-9-19-16)10-13-4-6-17-7-5-13/h8-9,13,17H,4-7,10H2,1-3H3.
What are the key properties of 2-(piperidin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazine?
2-(piperidin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazine has a molecular weight of 285.39 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazine is sourced from PubChem (CID 110102191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).