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

C15H21N5 — CID 110102407

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[(1-methylpyrrolidin-3-yl)methyl]pyrazine
SMILESCc1n[nH]c(C)c1-c1cnc(CC2CCN(C)C2)cn1
InChIInChI=1S/C15H21N5/c1-10-15(11(2)19-18-10)14-8-16-13(7-17-14)6-12-4-5-20(3)9-12/h7-8,12H,4-6,9H2,1-3H3,(H,18,19)
InChIKeyCEHDDLFYROJRLC-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.98
Rot. Bonds3

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

2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[(1-methylpyrrolidin-3-yl)methyl]pyrazine (PubChem CID 110102407) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[(1-methylpyrrolidin-3-yl)methyl]pyrazine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[(1-methylpyrrolidin-3-yl)methyl]pyrazine
PubChem CID110102407
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[(1-methylpyrrolidin-3-yl)methyl]pyrazine
SMILESCc1n[nH]c(C)c1-c1cnc(CC2CCN(C)C2)cn1
InChIInChI=1S/C15H21N5/c1-10-15(11(2)19-18-10)14-8-16-13(7-17-14)6-12-4-5-20(3)9-12/h7-8,12H,4-6,9H2,1-3H3,(H,18,19)
InChIKeyCEHDDLFYROJRLC-UHFFFAOYSA-N
XLogP1.98
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.98
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)-5-[(1-methylpyrrolidin-3-yl)methyl]pyrazine?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[(1-methylpyrrolidin-3-yl)methyl]pyrazine (CID 110102407) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[(1-methylpyrrolidin-3-yl)methyl]pyrazine.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[(1-methylpyrrolidin-3-yl)methyl]pyrazine?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[(1-methylpyrrolidin-3-yl)methyl]pyrazine is Cc1n[nH]c(C)c1-c1cnc(CC2CCN(C)C2)cn1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[(1-methylpyrrolidin-3-yl)methyl]pyrazine?
The InChIKey is CEHDDLFYROJRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-10-15(11(2)19-18-10)14-8-16-13(7-17-14)6-12-4-5-20(3)9-12/h7-8,12H,4-6,9H2,1-3H3,(H,18,19).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[(1-methylpyrrolidin-3-yl)methyl]pyrazine?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[(1-methylpyrrolidin-3-yl)methyl]pyrazine has a molecular weight of 271.37 g/mol, XLogP of 1.98, 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)-5-[(1-methylpyrrolidin-3-yl)methyl]pyrazine is sourced from PubChem (CID 110102407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).