5-[1-(2,3-dihydroindole-1-carbonyl)azetidin-3-yl]-1H-pyrazole-3-carboxylic acid

C16H16N4O3 — CID 146101749

IUPAC5-[1-(2,3-dihydroindole-1-carbonyl)azetidin-3-yl]-1H-pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(C2CN(C(=O)N3CCc4ccccc43)C2)[nH]n1
InChIInChI=1S/C16H16N4O3/c21-15(22)13-7-12(17-18-13)11-8-19(9-11)16(23)20-6-5-10-3-1-2-4-14(10)20/h1-4,7,11H,5-6,8-9H2,(H,17,18)(H,21,22)
InChIKeyJLHYOYMYGFKDDJ-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.69
Rot. Bonds2

About 5-[1-(2,3-dihydroindole-1-carbonyl)azetidin-3-yl]-1H-pyrazole-3-carboxylic acid

5-[1-(2,3-dihydroindole-1-carbonyl)azetidin-3-yl]-1H-pyrazole-3-carboxylic acid (PubChem CID 146101749) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 5-[1-(2,3-dihydroindole-1-carbonyl)azetidin-3-yl]-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[1-(2,3-dihydroindole-1-carbonyl)azetidin-3-yl]-1H-pyrazole-3-carboxylic acid
PubChem CID146101749
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name5-[1-(2,3-dihydroindole-1-carbonyl)azetidin-3-yl]-1H-pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(C2CN(C(=O)N3CCc4ccccc43)C2)[nH]n1
InChIInChI=1S/C16H16N4O3/c21-15(22)13-7-12(17-18-13)11-8-19(9-11)16(23)20-6-5-10-3-1-2-4-14(10)20/h1-4,7,11H,5-6,8-9H2,(H,17,18)(H,21,22)
InChIKeyJLHYOYMYGFKDDJ-UHFFFAOYSA-N
XLogP1.69
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-cyclopropyl-1H-pyrazol-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 19591093
2,3-dihydroindol-1-yl-[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 99818768
5-(1-methylpyrrolidin-3-yl)-1H-pyrazole-3-carboxylic acid
CID 115020200
3,4-dihydro-2H-quinolin-1-yl-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone
CID 24896062
1-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidine-4-carboxylic acid
CID 28513192
(5-methyl-1H-pyrazol-3-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 86768825
N-[(3R)-1-(2,3-dihydroindole-1-carbonyl)piperidin-3-yl]methanesulfonamide
CID 124861937
3,4-dihydro-2H-quinolin-1-yl-(4-methylpiperidin-1-yl)methanone
CID 108987982
1-(2,3-dihydroindole-1-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 146083168
1-(2,3-dihydroindol-1-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 129402938
[(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 97343610
2,3-dihydroindol-1-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 108991218

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,3-dihydroindole-1-carbonyl)azetidin-3-yl]-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-[1-(2,3-dihydroindole-1-carbonyl)azetidin-3-yl]-1H-pyrazole-3-carboxylic acid (CID 146101749) is 5-[1-(2,3-dihydroindole-1-carbonyl)azetidin-3-yl]-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[1-(2,3-dihydroindole-1-carbonyl)azetidin-3-yl]-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-[1-(2,3-dihydroindole-1-carbonyl)azetidin-3-yl]-1H-pyrazole-3-carboxylic acid is O=C(O)c1cc(C2CN(C(=O)N3CCc4ccccc43)C2)[nH]n1.
What is the InChIKey of 5-[1-(2,3-dihydroindole-1-carbonyl)azetidin-3-yl]-1H-pyrazole-3-carboxylic acid?
The InChIKey is JLHYOYMYGFKDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c21-15(22)13-7-12(17-18-13)11-8-19(9-11)16(23)20-6-5-10-3-1-2-4-14(10)20/h1-4,7,11H,5-6,8-9H2,(H,17,18)(H,21,22).
What are the key properties of 5-[1-(2,3-dihydroindole-1-carbonyl)azetidin-3-yl]-1H-pyrazole-3-carboxylic acid?
5-[1-(2,3-dihydroindole-1-carbonyl)azetidin-3-yl]-1H-pyrazole-3-carboxylic acid has a molecular weight of 312.33 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,3-dihydroindole-1-carbonyl)azetidin-3-yl]-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 146101749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).