(2R)-N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide

C15H20N6O — CID 125005876

IUPAC(2R)-N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@]1(c2cnccn2)CCCN1Cc1cnn(C)c1
InChIInChI=1S/C15H20N6O/c1-16-14(22)15(13-9-17-5-6-18-13)4-3-7-21(15)11-12-8-19-20(2)10-12/h5-6,8-10H,3-4,7,11H2,1-2H3,(H,16,22)/t15-/m1/s1
InChIKeyUCHVETLRYJQWRJ-OAHLLOKOSA-N
MW300.37 g/mol
LogP0.45
Rot. Bonds4

About (2R)-N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide

(2R)-N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide (PubChem CID 125005876) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is (2R)-N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
PubChem CID125005876
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name(2R)-N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@]1(c2cnccn2)CCCN1Cc1cnn(C)c1
InChIInChI=1S/C15H20N6O/c1-16-14(22)15(13-9-17-5-6-18-13)4-3-7-21(15)11-12-8-19-20(2)10-12/h5-6,8-10H,3-4,7,11H2,1-2H3,(H,16,22)/t15-/m1/s1
InChIKeyUCHVETLRYJQWRJ-OAHLLOKOSA-N
XLogP0.45
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide (CID 125005876) is (2R)-N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide is CNC(=O)[C@]1(c2cnccn2)CCCN1Cc1cnn(C)c1.
What is the InChIKey of (2R)-N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is UCHVETLRYJQWRJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H20N6O/c1-16-14(22)15(13-9-17-5-6-18-13)4-3-7-21(15)11-12-8-19-20(2)10-12/h5-6,8-10H,3-4,7,11H2,1-2H3,(H,16,22)/t15-/m1/s1.
What are the key properties of (2R)-N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
(2R)-N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 300.37 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 125005876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).