3-[[3-methyl-1-[(4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylic acid

C16H20N4O2 — CID 147065342

IUPAC3-[[3-methyl-1-[(4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylic acid
SMILESCc1nn(C2CNC[C@H]2C)cc1Cc1cnccc1C(=O)O
InChIInChI=1S/C16H20N4O2/c1-10-6-18-8-15(10)20-9-13(11(2)19-20)5-12-7-17-4-3-14(12)16(21)22/h3-4,7,9-10,15,18H,5-6,8H2,1-2H3,(H,21,22)/t10-,15?/m1/s1
InChIKeyBDZAPZGLRHEOAX-INHVJJQHSA-N
MW300.36 g/mol
LogP1.66
Rot. Bonds4

About 3-[[3-methyl-1-[(4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylic acid

3-[[3-methyl-1-[(4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylic acid (PubChem CID 147065342) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-[[3-methyl-1-[(4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[[3-methyl-1-[(4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylic acid
PubChem CID147065342
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name3-[[3-methyl-1-[(4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylic acid
SMILESCc1nn(C2CNC[C@H]2C)cc1Cc1cnccc1C(=O)O
InChIInChI=1S/C16H20N4O2/c1-10-6-18-8-15(10)20-9-13(11(2)19-20)5-12-7-17-4-3-14(12)16(21)22/h3-4,7,9-10,15,18H,5-6,8H2,1-2H3,(H,21,22)/t10-,15?/m1/s1
InChIKeyBDZAPZGLRHEOAX-INHVJJQHSA-N
XLogP1.66
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[3-methyl-1-[(4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylic acid with MolForge

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Related Compounds

3-[[3-methyl-1-[(4S)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylic acid
CID 157319289
3-[[3-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid
CID 148965613
3-[(4-methyl-1-piperidin-4-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid
CID 158842110
3-[[1-(1-ethylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-ethylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate
CID 159530833
3-[[5-methyl-1-[(3S,4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylic acid
CID 118961725
3-[[1-[(3R,4S)-4-methylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylic acid
CID 118961706
3-[(4-fluorophenyl)methyl]pyridine-4-carboxylic acid
CID 150942851
3-(hydroxymethyl)pyridine-4-carboxylic acid
CID 12758257
3-[(1-methyl-4-phenylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid
CID 153148612
methyl 3-[[5-methyl-1-[(3S,4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate
CID 118961749
3-(2-hydroxypropyl)pyridine-4-carboxylic acid
CID 165349315
3-[[5-methyl-1-[4-(methylcarbamoyl)phenyl]pyrazol-4-yl]methyl]pyridine-4-carboxylic acid
CID 159300245

Frequently Asked Questions

What is the IUPAC name of 3-[[3-methyl-1-[(4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 3-[[3-methyl-1-[(4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylic acid (CID 147065342) is 3-[[3-methyl-1-[(4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[[3-methyl-1-[(4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[[3-methyl-1-[(4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylic acid is Cc1nn(C2CNC[C@H]2C)cc1Cc1cnccc1C(=O)O.
What is the InChIKey of 3-[[3-methyl-1-[(4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylic acid?
The InChIKey is BDZAPZGLRHEOAX-INHVJJQHSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-10-6-18-8-15(10)20-9-13(11(2)19-20)5-12-7-17-4-3-14(12)16(21)22/h3-4,7,9-10,15,18H,5-6,8H2,1-2H3,(H,21,22)/t10-,15?/m1/s1.
What are the key properties of 3-[[3-methyl-1-[(4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylic acid?
3-[[3-methyl-1-[(4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-methyl-1-[(4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 147065342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).