2-[[(3R)-pyrrolidin-3-yl]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine

C15H21N5 — CID 125017846

IUPAC2-[[(3R)-pyrrolidin-3-yl]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine
SMILESCc1nn(C)c(C)c1-c1cnc(C[C@H]2CCNC2)cn1
InChIInChI=1S/C15H21N5/c1-10-15(11(2)20(3)19-10)14-9-17-13(8-18-14)6-12-4-5-16-7-12/h8-9,12,16H,4-7H2,1-3H3/t12-/m1/s1
InChIKeyXKGDWSCMTXZKGS-GFCCVEGCSA-N
MW271.37 g/mol
LogP1.65
Rot. Bonds3

About 2-[[(3R)-pyrrolidin-3-yl]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine

2-[[(3R)-pyrrolidin-3-yl]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine (PubChem CID 125017846) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 2-[[(3R)-pyrrolidin-3-yl]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine.

Molecular Properties

Compound Name2-[[(3R)-pyrrolidin-3-yl]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine
PubChem CID125017846
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name2-[[(3R)-pyrrolidin-3-yl]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine
SMILESCc1nn(C)c(C)c1-c1cnc(C[C@H]2CCNC2)cn1
InChIInChI=1S/C15H21N5/c1-10-15(11(2)20(3)19-10)14-9-17-13(8-18-14)6-12-4-5-16-7-12/h8-9,12,16H,4-7H2,1-3H3/t12-/m1/s1
InChIKeyXKGDWSCMTXZKGS-GFCCVEGCSA-N
XLogP1.65
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-pyrrolidin-3-yl]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine?
The IUPAC name of 2-[[(3R)-pyrrolidin-3-yl]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine (CID 125017846) is 2-[[(3R)-pyrrolidin-3-yl]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine.
What is the SMILES notation for 2-[[(3R)-pyrrolidin-3-yl]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine?
The canonical SMILES for 2-[[(3R)-pyrrolidin-3-yl]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine is Cc1nn(C)c(C)c1-c1cnc(C[C@H]2CCNC2)cn1.
What is the InChIKey of 2-[[(3R)-pyrrolidin-3-yl]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine?
The InChIKey is XKGDWSCMTXZKGS-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N5/c1-10-15(11(2)20(3)19-10)14-9-17-13(8-18-14)6-12-4-5-16-7-12/h8-9,12,16H,4-7H2,1-3H3/t12-/m1/s1.
What are the key properties of 2-[[(3R)-pyrrolidin-3-yl]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine?
2-[[(3R)-pyrrolidin-3-yl]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine has a molecular weight of 271.37 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-pyrrolidin-3-yl]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine is sourced from PubChem (CID 125017846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).