4-[(4-amino-3,5-diethylpyrazol-1-yl)methyl]pyridine-2-carbonitrile

C14H17N5 — CID 82703233

IUPAC4-[(4-amino-3,5-diethylpyrazol-1-yl)methyl]pyridine-2-carbonitrile
SMILESCCc1nn(Cc2ccnc(C#N)c2)c(CC)c1N
InChIInChI=1S/C14H17N5/c1-3-12-14(16)13(4-2)19(18-12)9-10-5-6-17-11(7-10)8-15/h5-7H,3-4,9,16H2,1-2H3
InChIKeyXCNPMDJFOBVLCT-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.91
Rot. Bonds4

About 4-[(4-amino-3,5-diethylpyrazol-1-yl)methyl]pyridine-2-carbonitrile

4-[(4-amino-3,5-diethylpyrazol-1-yl)methyl]pyridine-2-carbonitrile (PubChem CID 82703233) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-[(4-amino-3,5-diethylpyrazol-1-yl)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(4-amino-3,5-diethylpyrazol-1-yl)methyl]pyridine-2-carbonitrile
PubChem CID82703233
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name4-[(4-amino-3,5-diethylpyrazol-1-yl)methyl]pyridine-2-carbonitrile
SMILESCCc1nn(Cc2ccnc(C#N)c2)c(CC)c1N
InChIInChI=1S/C14H17N5/c1-3-12-14(16)13(4-2)19(18-12)9-10-5-6-17-11(7-10)8-15/h5-7H,3-4,9,16H2,1-2H3
InChIKeyXCNPMDJFOBVLCT-UHFFFAOYSA-N
XLogP1.91
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3,5-diethylpyrazol-1-yl)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(4-amino-3,5-diethylpyrazol-1-yl)methyl]pyridine-2-carbonitrile (CID 82703233) is 4-[(4-amino-3,5-diethylpyrazol-1-yl)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(4-amino-3,5-diethylpyrazol-1-yl)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(4-amino-3,5-diethylpyrazol-1-yl)methyl]pyridine-2-carbonitrile is CCc1nn(Cc2ccnc(C#N)c2)c(CC)c1N.
What is the InChIKey of 4-[(4-amino-3,5-diethylpyrazol-1-yl)methyl]pyridine-2-carbonitrile?
The InChIKey is XCNPMDJFOBVLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-3-12-14(16)13(4-2)19(18-12)9-10-5-6-17-11(7-10)8-15/h5-7H,3-4,9,16H2,1-2H3.
What are the key properties of 4-[(4-amino-3,5-diethylpyrazol-1-yl)methyl]pyridine-2-carbonitrile?
4-[(4-amino-3,5-diethylpyrazol-1-yl)methyl]pyridine-2-carbonitrile has a molecular weight of 255.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3,5-diethylpyrazol-1-yl)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 82703233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).