2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(pyrrolidin-1-ylmethyl)pyrazine

C19H28N6 — CID 118739841

IUPAC2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(pyrrolidin-1-ylmethyl)pyrazine
SMILESCc1c(CN2CCCC2c2cncc(CN3CCCC3)n2)cnn1C
InChIInChI=1S/C19H28N6/c1-15-16(10-21-23(15)2)13-25-9-5-6-19(25)18-12-20-11-17(22-18)14-24-7-3-4-8-24/h10-12,19H,3-9,13-14H2,1-2H3
InChIKeySPZSQJJDPUIACE-UHFFFAOYSA-N
MW340.48 g/mol
LogP2.45
Rot. Bonds5

About 2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(pyrrolidin-1-ylmethyl)pyrazine

2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(pyrrolidin-1-ylmethyl)pyrazine (PubChem CID 118739841) has the molecular formula C19H28N6 and a molecular weight of 340.48 g/mol. Its IUPAC name is 2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(pyrrolidin-1-ylmethyl)pyrazine.

Molecular Properties

Compound Name2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(pyrrolidin-1-ylmethyl)pyrazine
PubChem CID118739841
Molecular FormulaC19H28N6
Molecular Weight340.48 g/mol
Exact Mass340.24
IUPAC Name2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(pyrrolidin-1-ylmethyl)pyrazine
SMILESCc1c(CN2CCCC2c2cncc(CN3CCCC3)n2)cnn1C
InChIInChI=1S/C19H28N6/c1-15-16(10-21-23(15)2)13-25-9-5-6-19(25)18-12-20-11-17(22-18)14-24-7-3-4-8-24/h10-12,19H,3-9,13-14H2,1-2H3
InChIKeySPZSQJJDPUIACE-UHFFFAOYSA-N
XLogP2.45
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(pyrrolidin-1-ylmethyl)pyrazine?
The IUPAC name of 2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(pyrrolidin-1-ylmethyl)pyrazine (CID 118739841) is 2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(pyrrolidin-1-ylmethyl)pyrazine.
What is the SMILES notation for 2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(pyrrolidin-1-ylmethyl)pyrazine?
The canonical SMILES for 2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(pyrrolidin-1-ylmethyl)pyrazine is Cc1c(CN2CCCC2c2cncc(CN3CCCC3)n2)cnn1C.
What is the InChIKey of 2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(pyrrolidin-1-ylmethyl)pyrazine?
The InChIKey is SPZSQJJDPUIACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6/c1-15-16(10-21-23(15)2)13-25-9-5-6-19(25)18-12-20-11-17(22-18)14-24-7-3-4-8-24/h10-12,19H,3-9,13-14H2,1-2H3.
What are the key properties of 2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(pyrrolidin-1-ylmethyl)pyrazine?
2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(pyrrolidin-1-ylmethyl)pyrazine has a molecular weight of 340.48 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(pyrrolidin-1-ylmethyl)pyrazine is sourced from PubChem (CID 118739841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).