3-(6-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid

C15H15N3O3 — CID 115108598

IUPAC3-(6-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1ccc2c(-c3cc(C(=O)O)[nH]n3)c(C)n(C)c2c1
InChIInChI=1S/C15H15N3O3/c1-8-14(11-7-12(15(19)20)17-16-11)10-5-4-9(21-3)6-13(10)18(8)2/h4-7H,1-3H3,(H,16,17)(H,19,20)
InChIKeyQTFVHGLVMSNDMX-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.58
Rot. Bonds3

About 3-(6-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid

3-(6-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid (PubChem CID 115108598) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-(6-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(6-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid
PubChem CID115108598
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name3-(6-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1ccc2c(-c3cc(C(=O)O)[nH]n3)c(C)n(C)c2c1
InChIInChI=1S/C15H15N3O3/c1-8-14(11-7-12(15(19)20)17-16-11)10-5-4-9(21-3)6-13(10)18(8)2/h4-7H,1-3H3,(H,16,17)(H,19,20)
InChIKeyQTFVHGLVMSNDMX-UHFFFAOYSA-N
XLogP2.58
TPSA80.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-methoxy-2-methyl-1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid
CID 136986065
3-(7-fluoro-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid
CID 115108534
5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 115109119
6-methoxy-1,2-dimethylindole-3-carboxamide
CID 71165672
3-(6-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117420526
(E)-3-(6-methoxy-1,2-dimethylindol-3-yl)prop-2-enoic acid
CID 82497828
3-(5-chloro-3-hydroxy-2-methoxy-6-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117454126
3-(3-chloro-6-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117429469
3-(3-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117336054
7-methoxy-1-methyl-4-oxoquinoline-2-carboxylic acid
CID 82243051
3-(2,3-dimethoxy-5,6-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117442260
3-(3-fluoro-6-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117378395

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(6-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid (CID 115108598) is 3-(6-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(6-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(6-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid is COc1ccc2c(-c3cc(C(=O)O)[nH]n3)c(C)n(C)c2c1.
What is the InChIKey of 3-(6-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is QTFVHGLVMSNDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-8-14(11-7-12(15(19)20)17-16-11)10-5-4-9(21-3)6-13(10)18(8)2/h4-7H,1-3H3,(H,16,17)(H,19,20).
What are the key properties of 3-(6-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid?
3-(6-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 115108598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).