4-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid

C14H16N4O2 — CID 95550862

IUPAC4-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1[nH]ncc1CN1CCC[C@@H]1c1ccccn1
InChIInChI=1S/C14H16N4O2/c19-14(20)13-10(8-16-17-13)9-18-7-3-5-12(18)11-4-1-2-6-15-11/h1-2,4,6,8,12H,3,5,7,9H2,(H,16,17)(H,19,20)/t12-/m1/s1
InChIKeyPGRNIHKEFXRCOD-GFCCVEGCSA-N
MW272.31 g/mol
LogP1.84
Rot. Bonds4

About 4-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid

4-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid (PubChem CID 95550862) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
PubChem CID95550862
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name4-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1[nH]ncc1CN1CCC[C@@H]1c1ccccn1
InChIInChI=1S/C14H16N4O2/c19-14(20)13-10(8-16-17-13)9-18-7-3-5-12(18)11-4-1-2-6-15-11/h1-2,4,6,8,12H,3,5,7,9H2,(H,16,17)(H,19,20)/t12-/m1/s1
InChIKeyPGRNIHKEFXRCOD-GFCCVEGCSA-N
XLogP1.84
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 45189094
2-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]benzoic acid
CID 95200148
2-(2-pyridin-2-ylpyrrolidin-1-yl)acetic acid
CID 131863720
2-[(2S)-1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine
CID 42193708
2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95841459
2-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]benzoic acid
CID 124975597
2-pyridin-2-yl-5-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 56714022
5-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
CID 95219231
2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 95730792
4-(pyrrolidin-1-ylmethyl)-1H-pyrazole-5-carboxylic acid
CID 117216590
4-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole
CID 95729061
2-[(2S)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine
CID 125020229

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 4-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid (CID 95550862) is 4-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 4-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid is O=C(O)c1[nH]ncc1CN1CCC[C@@H]1c1ccccn1.
What is the InChIKey of 4-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid?
The InChIKey is PGRNIHKEFXRCOD-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-14(20)13-10(8-16-17-13)9-18-7-3-5-12(18)11-4-1-2-6-15-11/h1-2,4,6,8,12H,3,5,7,9H2,(H,16,17)(H,19,20)/t12-/m1/s1.
What are the key properties of 4-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid?
4-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid has a molecular weight of 272.31 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 95550862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).