1-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid

C16H19N3O3 — CID 56771437

IUPAC1-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid
SMILESCOc1cccc(-c2cc(N3CCC(C(=O)O)CC3)n[nH]2)c1
InChIInChI=1S/C16H19N3O3/c1-22-13-4-2-3-12(9-13)14-10-15(18-17-14)19-7-5-11(6-8-19)16(20)21/h2-4,9-11H,5-8H2,1H3,(H,17,18)(H,20,21)
InChIKeyFBMIUAYADBMFFO-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.39
Rot. Bonds4

About 1-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid

1-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid (PubChem CID 56771437) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid
PubChem CID56771437
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid
SMILESCOc1cccc(-c2cc(N3CCC(C(=O)O)CC3)n[nH]2)c1
InChIInChI=1S/C16H19N3O3/c1-22-13-4-2-3-12(9-13)14-10-15(18-17-14)19-7-5-11(6-8-19)16(20)21/h2-4,9-11H,5-8H2,1H3,(H,17,18)(H,20,21)
InChIKeyFBMIUAYADBMFFO-UHFFFAOYSA-N
XLogP2.39
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(3-bromophenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid
CID 112707623
3-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528481
1-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-amine
CID 56771509
3-methoxy-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528323
4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528146
1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-3-carboxylic acid
CID 56771463
(3-methoxyphenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)-1,4-diazepan-1-yl]methanone
CID 53180949
4-methoxy-2-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528170
2,4-dimethoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528143
(3S)-1-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 28875723
4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 91914563
N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-2-(3-methylphenoxy)acetamide
CID 91904760

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid (CID 56771437) is 1-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid is COc1cccc(-c2cc(N3CCC(C(=O)O)CC3)n[nH]2)c1.
What is the InChIKey of 1-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid?
The InChIKey is FBMIUAYADBMFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-22-13-4-2-3-12(9-13)14-10-15(18-17-14)19-7-5-11(6-8-19)16(20)21/h2-4,9-11H,5-8H2,1H3,(H,17,18)(H,20,21).
What are the key properties of 1-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid?
1-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 56771437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).