2-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]pentanoic acid

C15H16N4O2 — CID 118104942

IUPAC2-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]pentanoic acid
SMILESCCCC(C(=O)O)c1cnc(-c2cnn(C)c2)c(C#N)c1
InChIInChI=1S/C15H16N4O2/c1-3-4-13(15(20)21)11-5-10(6-16)14(17-7-11)12-8-18-19(2)9-12/h5,7-9,13H,3-4H2,1-2H3,(H,20,21)
InChIKeyDTNANZSTKCTVEH-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.32
Rot. Bonds5

About 2-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]pentanoic acid

2-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]pentanoic acid (PubChem CID 118104942) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]pentanoic acid.

Molecular Properties

Compound Name2-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]pentanoic acid
PubChem CID118104942
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]pentanoic acid
SMILESCCCC(C(=O)O)c1cnc(-c2cnn(C)c2)c(C#N)c1
InChIInChI=1S/C15H16N4O2/c1-3-4-13(15(20)21)11-5-10(6-16)14(17-7-11)12-8-18-19(2)9-12/h5,7-9,13H,3-4H2,1-2H3,(H,20,21)
InChIKeyDTNANZSTKCTVEH-UHFFFAOYSA-N
XLogP2.32
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]pentanoic acid?
The IUPAC name of 2-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]pentanoic acid (CID 118104942) is 2-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]pentanoic acid.
What is the SMILES notation for 2-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]pentanoic acid?
The canonical SMILES for 2-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]pentanoic acid is CCCC(C(=O)O)c1cnc(-c2cnn(C)c2)c(C#N)c1.
What is the InChIKey of 2-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]pentanoic acid?
The InChIKey is DTNANZSTKCTVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-3-4-13(15(20)21)11-5-10(6-16)14(17-7-11)12-8-18-19(2)9-12/h5,7-9,13H,3-4H2,1-2H3,(H,20,21).
What are the key properties of 2-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]pentanoic acid?
2-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]pentanoic acid has a molecular weight of 284.32 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]pentanoic acid is sourced from PubChem (CID 118104942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).