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

C16H19N3O3 — CID 56771463

IUPAC1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-3-carboxylic acid
SMILESCOc1ccc(-c2cc(N3CCCC(C(=O)O)C3)n[nH]2)cc1
InChIInChI=1S/C16H19N3O3/c1-22-13-6-4-11(5-7-13)14-9-15(18-17-14)19-8-2-3-12(10-19)16(20)21/h4-7,9,12H,2-3,8,10H2,1H3,(H,17,18)(H,20,21)
InChIKeyZDMNANDDDRCBQN-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.39
Rot. Bonds4

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

1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-3-carboxylic acid (PubChem CID 56771463) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-3-carboxylic acid
PubChem CID56771463
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-3-carboxylic acid
SMILESCOc1ccc(-c2cc(N3CCCC(C(=O)O)C3)n[nH]2)cc1
InChIInChI=1S/C16H19N3O3/c1-22-13-6-4-11(5-7-13)14-9-15(18-17-14)19-8-2-3-12(10-19)16(20)21/h4-7,9,12H,2-3,8,10H2,1H3,(H,17,18)(H,20,21)
InChIKeyZDMNANDDDRCBQN-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

N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,5-dimethylbenzamide
CID 99741436
1-[5-(3-bromophenyl)-1H-pyrazol-3-yl]piperidine-3-carboxylic acid
CID 112707624
2,4-dimethoxy-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
CID 99741411
2-(4-chlorophenoxy)-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]acetamide
CID 99741177
4-methoxy-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 53181016
N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-4-phenylbutanamide
CID 99756654
2-fluoro-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
CID 91887918
(3S)-1-[6-(4-methoxyanilino)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 99975929
N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]isoquinoline-1-carboxamide
CID 99741183
4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 91914563
1-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid
CID 56771437
1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid
CID 56770201

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-3-carboxylic acid (CID 56771463) is 1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-3-carboxylic acid is COc1ccc(-c2cc(N3CCCC(C(=O)O)C3)n[nH]2)cc1.
What is the InChIKey of 1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-3-carboxylic acid?
The InChIKey is ZDMNANDDDRCBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-22-13-6-4-11(5-7-13)14-9-15(18-17-14)19-8-2-3-12(10-19)16(20)21/h4-7,9,12H,2-3,8,10H2,1H3,(H,17,18)(H,20,21).
What are the key properties of 1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-3-carboxylic acid?
1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-3-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-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-3-carboxylic acid is sourced from PubChem (CID 56771463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).