6-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid

C14H16N4O2 — CID 164640368

IUPAC6-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
SMILESCn1cc([C@@H]2CCCN2c2cccc(C(=O)O)n2)cn1
InChIInChI=1S/C14H16N4O2/c1-17-9-10(8-15-17)12-5-3-7-18(12)13-6-2-4-11(16-13)14(19)20/h2,4,6,8-9,12H,3,5,7H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyQHYQNYXIXOBTMX-LBPRGKRZSA-N
MW272.31 g/mol
LogP1.85
Rot. Bonds3

About 6-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid

6-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 164640368) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 6-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
PubChem CID164640368
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name6-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
SMILESCn1cc([C@@H]2CCCN2c2cccc(C(=O)O)n2)cn1
InChIInChI=1S/C14H16N4O2/c1-17-9-10(8-15-17)12-5-3-7-18(12)13-6-2-4-11(16-13)14(19)20/h2,4,6,8-9,12H,3,5,7H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyQHYQNYXIXOBTMX-LBPRGKRZSA-N
XLogP1.85
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid (CID 164640368) is 6-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid is Cn1cc([C@@H]2CCCN2c2cccc(C(=O)O)n2)cn1.
What is the InChIKey of 6-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is QHYQNYXIXOBTMX-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-17-9-10(8-15-17)12-5-3-7-18(12)13-6-2-4-11(16-13)14(19)20/h2,4,6,8-9,12H,3,5,7H2,1H3,(H,19,20)/t12-/m0/s1.
What are the key properties of 6-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
6-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 272.31 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 164640368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).