2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile

C15H17N5 — CID 133341927

IUPAC2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESCn1cc(CC2CCN(c3ncccc3C#N)C2)cn1
InChIInChI=1S/C15H17N5/c1-19-10-13(9-18-19)7-12-4-6-20(11-12)15-14(8-16)3-2-5-17-15/h2-3,5,9-10,12H,4,6-7,11H2,1H3
InChIKeyGLKBUNPYBJQQOB-UHFFFAOYSA-N
MW267.34 g/mol
LogP1.76
Rot. Bonds3

About 2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile

2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile (PubChem CID 133341927) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile
PubChem CID133341927
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESCn1cc(CC2CCN(c3ncccc3C#N)C2)cn1
InChIInChI=1S/C15H17N5/c1-19-10-13(9-18-19)7-12-4-6-20(11-12)15-14(8-16)3-2-5-17-15/h2-3,5,9-10,12H,4,6-7,11H2,1H3
InChIKeyGLKBUNPYBJQQOB-UHFFFAOYSA-N
XLogP1.76
TPSA57.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile (CID 133341927) is 2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile is Cn1cc(CC2CCN(c3ncccc3C#N)C2)cn1.
What is the InChIKey of 2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is GLKBUNPYBJQQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-19-10-13(9-18-19)7-12-4-6-20(11-12)15-14(8-16)3-2-5-17-15/h2-3,5,9-10,12H,4,6-7,11H2,1H3.
What are the key properties of 2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile?
2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 267.34 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 133341927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).