2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(pyrrolidin-3-ylmethyl)pyrazine

C14H19N5 — CID 110102213

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(pyrrolidin-3-ylmethyl)pyrazine
SMILESCc1n[nH]c(C)c1-c1nccnc1CC1CCNC1
InChIInChI=1S/C14H19N5/c1-9-13(10(2)19-18-9)14-12(16-5-6-17-14)7-11-3-4-15-8-11/h5-6,11,15H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyLVZBHBZFHRKJCU-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.64
Rot. Bonds3

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(pyrrolidin-3-ylmethyl)pyrazine

2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(pyrrolidin-3-ylmethyl)pyrazine (PubChem CID 110102213) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(pyrrolidin-3-ylmethyl)pyrazine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(pyrrolidin-3-ylmethyl)pyrazine
PubChem CID110102213
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(pyrrolidin-3-ylmethyl)pyrazine
SMILESCc1n[nH]c(C)c1-c1nccnc1CC1CCNC1
InChIInChI=1S/C14H19N5/c1-9-13(10(2)19-18-9)14-12(16-5-6-17-14)7-11-3-4-15-8-11/h5-6,11,15H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyLVZBHBZFHRKJCU-UHFFFAOYSA-N
XLogP1.64
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.64
H-Bond Donors ≤ 52
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-(pyrrolidin-3-ylmethyl)pyrazine?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(pyrrolidin-3-ylmethyl)pyrazine (CID 110102213) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(pyrrolidin-3-ylmethyl)pyrazine.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(pyrrolidin-3-ylmethyl)pyrazine?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(pyrrolidin-3-ylmethyl)pyrazine is Cc1n[nH]c(C)c1-c1nccnc1CC1CCNC1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(pyrrolidin-3-ylmethyl)pyrazine?
The InChIKey is LVZBHBZFHRKJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-9-13(10(2)19-18-9)14-12(16-5-6-17-14)7-11-3-4-15-8-11/h5-6,11,15H,3-4,7-8H2,1-2H3,(H,18,19).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(pyrrolidin-3-ylmethyl)pyrazine?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(pyrrolidin-3-ylmethyl)pyrazine has a molecular weight of 257.34 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 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-(pyrrolidin-3-ylmethyl)pyrazine is sourced from PubChem (CID 110102213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).