1-(2,3-dihydro-1H-indene-5-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid

C19H21N3O3 — CID 56914858

IUPAC1-(2,3-dihydro-1H-indene-5-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESO=C(c1ccc2c(c1)CCC2)N1CCC(C(=O)O)(n2cccn2)CC1
InChIInChI=1S/C19H21N3O3/c23-17(16-6-5-14-3-1-4-15(14)13-16)21-11-7-19(8-12-21,18(24)25)22-10-2-9-20-22/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,24,25)
InChIKeyAPZHTUCQJICPTA-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.09
Rot. Bonds3

About 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid

1-(2,3-dihydro-1H-indene-5-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid (PubChem CID 56914858) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indene-5-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
PubChem CID56914858
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name1-(2,3-dihydro-1H-indene-5-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESO=C(c1ccc2c(c1)CCC2)N1CCC(C(=O)O)(n2cccn2)CC1
InChIInChI=1S/C19H21N3O3/c23-17(16-6-5-14-3-1-4-15(14)13-16)21-11-7-19(8-12-21,18(24)25)22-10-2-9-20-22/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,24,25)
InChIKeyAPZHTUCQJICPTA-UHFFFAOYSA-N
XLogP2.09
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1H-indene-5-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 56916565
[4-(2,3-dihydro-1H-indene-5-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 38461269
phenyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]methanone
CID 84543270
1-(5-ethylthiophene-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56895738
1-(1-benzofuran-2-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56886314
2,3-dihydro-1H-inden-5-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95323101
1-(2,3-dihydro-1H-indene-5-carbonyl)-4-methylpiperidine-4-carbothioamide
CID 107160873
[4-(pyridine-2-carbonyl)piperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 38786418
[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-(4-ethylphenyl)methanone
CID 155877979
1-(2-methyl-1-benzofuran-7-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56892046
1-(5-fluoro-1H-indole-2-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56904889
2,3-dihydro-1H-inden-5-yl-[2-(pyrimidin-4-ylamino)-6-azaspiro[3.4]octan-6-yl]methanone
CID 110139324

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid (CID 56914858) is 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid is O=C(c1ccc2c(c1)CCC2)N1CCC(C(=O)O)(n2cccn2)CC1.
What is the InChIKey of 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The InChIKey is APZHTUCQJICPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-17(16-6-5-14-3-1-4-15(14)13-16)21-11-7-19(8-12-21,18(24)25)22-10-2-9-20-22/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,24,25).
What are the key properties of 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
1-(2,3-dihydro-1H-indene-5-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid has a molecular weight of 339.39 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 56914858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).