1-[1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile

C13H14N6 — CID 126947717

IUPAC1-[1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
SMILESCc1cncc(N2CCC(n3cc(C#N)cn3)C2)n1
InChIInChI=1S/C13H14N6/c1-10-5-15-7-13(17-10)18-3-2-12(9-18)19-8-11(4-14)6-16-19/h5-8,12H,2-3,9H2,1H3
InChIKeyCMPMMNSFSMMARS-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.30
Rot. Bonds2

About 1-[1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile

1-[1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile (PubChem CID 126947717) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-[1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-[1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
PubChem CID126947717
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name1-[1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
SMILESCc1cncc(N2CCC(n3cc(C#N)cn3)C2)n1
InChIInChI=1S/C13H14N6/c1-10-5-15-7-13(17-10)18-3-2-12(9-18)19-8-11(4-14)6-16-19/h5-8,12H,2-3,9H2,1H3
InChIKeyCMPMMNSFSMMARS-UHFFFAOYSA-N
XLogP1.30
TPSA70.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile?
The IUPAC name of 1-[1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile (CID 126947717) is 1-[1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile.
What is the SMILES notation for 1-[1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile?
The canonical SMILES for 1-[1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile is Cc1cncc(N2CCC(n3cc(C#N)cn3)C2)n1.
What is the InChIKey of 1-[1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile?
The InChIKey is CMPMMNSFSMMARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-10-5-15-7-13(17-10)18-3-2-12(9-18)19-8-11(4-14)6-16-19/h5-8,12H,2-3,9H2,1H3.
What are the key properties of 1-[1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile?
1-[1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile has a molecular weight of 254.30 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile is sourced from PubChem (CID 126947717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).