3-[[1-(1-methylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid

C21H22N4O2 — CID 149144993

IUPAC3-[[1-(1-methylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid
SMILESCN1CCC(n2ncc(Cc3cnccc3C(=O)O)c2-c2ccccc2)C1
InChIInChI=1S/C21H22N4O2/c1-24-10-8-18(14-24)25-20(15-5-3-2-4-6-15)17(13-23-25)11-16-12-22-9-7-19(16)21(26)27/h2-7,9,12-13,18H,8,10-11,14H2,1H3,(H,26,27)
InChIKeyRKAHFOQOFTXUNV-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.11
Rot. Bonds5

About 3-[[1-(1-methylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid

3-[[1-(1-methylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid (PubChem CID 149144993) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-[[1-(1-methylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[[1-(1-methylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid
PubChem CID149144993
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name3-[[1-(1-methylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid
SMILESCN1CCC(n2ncc(Cc3cnccc3C(=O)O)c2-c2ccccc2)C1
InChIInChI=1S/C21H22N4O2/c1-24-10-8-18(14-24)25-20(15-5-3-2-4-6-15)17(13-23-25)11-16-12-22-9-7-19(16)21(26)27/h2-7,9,12-13,18H,8,10-11,14H2,1H3,(H,26,27)
InChIKeyRKAHFOQOFTXUNV-UHFFFAOYSA-N
XLogP3.11
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,5-dimethyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid
CID 3164943
2-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-quinolinecarboxylic acid
CID 6485411
Keap1-Nrf2-IN-3
CID 126754534
Benzoic acid, 4-(5-(1,5-bis(1-methylethyl)-1H-pyrazol-3-yl)-1H-pyrrol-2-yl)-
CID 135525244
2-(1-ethyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid
CID 6485380
1-phenyl-3-(pyridin-3-yl)-1H-pyrazole-4-carboxylic acid
CID 752171
3-(1-Ethyl-1h-Indol-3-Yl)-1-Methyl-1h-Pyrazole-5-Carboxylic Acid
CID 122164592
1-benzyl-3-(pyridin-3-yl)-1H-pyrazole-4-carboxylic acid
CID 2497643
4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)benzoic acid
CID 45487437
6-[(2-Phenyl-6-vinylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151150
6-[(6-Methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151153
3-[[[(1R)-1-(2,4-difluorophenyl)ethyl]-(pyrazolo[1,5-a]pyridine-2-carbonyl)amino]methyl]benzoic acid
CID 68287843

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1-methylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 3-[[1-(1-methylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid (CID 149144993) is 3-[[1-(1-methylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[[1-(1-methylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[[1-(1-methylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid is CN1CCC(n2ncc(Cc3cnccc3C(=O)O)c2-c2ccccc2)C1.
What is the InChIKey of 3-[[1-(1-methylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid?
The InChIKey is RKAHFOQOFTXUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-24-10-8-18(14-24)25-20(15-5-3-2-4-6-15)17(13-23-25)11-16-12-22-9-7-19(16)21(26)27/h2-7,9,12-13,18H,8,10-11,14H2,1H3,(H,26,27).
What are the key properties of 3-[[1-(1-methylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid?
3-[[1-(1-methylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid has a molecular weight of 362.43 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1-methylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 149144993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).