3-(1,3-dimethyl-2-oxo-3H-indol-5-yl)-1H-pyrazole-5-carboxylic acid

C14H13N3O3 — CID 115003443

IUPAC3-(1,3-dimethyl-2-oxo-3H-indol-5-yl)-1H-pyrazole-5-carboxylic acid
SMILESCC1C(=O)N(C)c2ccc(-c3cc(C(=O)O)[nH]n3)cc21
InChIInChI=1S/C14H13N3O3/c1-7-9-5-8(3-4-12(9)17(2)13(7)18)10-6-11(14(19)20)16-15-10/h3-7H,1-2H3,(H,15,16)(H,19,20)
InChIKeyRGSIXHBCGHJOLG-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.85
Rot. Bonds2

About 3-(1,3-dimethyl-2-oxo-3H-indol-5-yl)-1H-pyrazole-5-carboxylic acid

3-(1,3-dimethyl-2-oxo-3H-indol-5-yl)-1H-pyrazole-5-carboxylic acid (PubChem CID 115003443) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 3-(1,3-dimethyl-2-oxo-3H-indol-5-yl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1,3-dimethyl-2-oxo-3H-indol-5-yl)-1H-pyrazole-5-carboxylic acid
PubChem CID115003443
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name3-(1,3-dimethyl-2-oxo-3H-indol-5-yl)-1H-pyrazole-5-carboxylic acid
SMILESCC1C(=O)N(C)c2ccc(-c3cc(C(=O)O)[nH]n3)cc21
InChIInChI=1S/C14H13N3O3/c1-7-9-5-8(3-4-12(9)17(2)13(7)18)10-6-11(14(19)20)16-15-10/h3-7H,1-2H3,(H,15,16)(H,19,20)
InChIKeyRGSIXHBCGHJOLG-UHFFFAOYSA-N
XLogP1.85
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1H-pyrazole-5-carboxylic acid
CID 82306077
(3S)-1,3-dimethyl-2-oxo-3H-indole-5-carboxylic acid
CID 98586131
3-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazole-5-carboxylic acid
CID 117394175
3-[4-(1-methylazetidin-3-yl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117396305
3-(3-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117310670
3-(1-methylindazol-5-yl)-1H-pyrazole-5-carboxylic acid
CID 117357222
3-(3-amino-4-chlorophenyl)-1H-pyrazole-5-carboxylic acid
CID 115111306
3-(4-methyl-3-methylsulfonylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117449866
3-[3-(difluoromethyl)-4-methylphenyl]-1H-pyrazole-5-carboxylic acid
CID 117383202
3-(2H-benzotriazol-5-yl)-1H-pyrazole-5-carboxylic acid
CID 117329834
3-[4-(2,2-difluoroethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117383204
3-(3-chloro-4-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117492632

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethyl-2-oxo-3H-indol-5-yl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(1,3-dimethyl-2-oxo-3H-indol-5-yl)-1H-pyrazole-5-carboxylic acid (CID 115003443) is 3-(1,3-dimethyl-2-oxo-3H-indol-5-yl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(1,3-dimethyl-2-oxo-3H-indol-5-yl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(1,3-dimethyl-2-oxo-3H-indol-5-yl)-1H-pyrazole-5-carboxylic acid is CC1C(=O)N(C)c2ccc(-c3cc(C(=O)O)[nH]n3)cc21.
What is the InChIKey of 3-(1,3-dimethyl-2-oxo-3H-indol-5-yl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is RGSIXHBCGHJOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-7-9-5-8(3-4-12(9)17(2)13(7)18)10-6-11(14(19)20)16-15-10/h3-7H,1-2H3,(H,15,16)(H,19,20).
What are the key properties of 3-(1,3-dimethyl-2-oxo-3H-indol-5-yl)-1H-pyrazole-5-carboxylic acid?
3-(1,3-dimethyl-2-oxo-3H-indol-5-yl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 271.28 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethyl-2-oxo-3H-indol-5-yl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 115003443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).