3-(7-chloro-1-methylindol-3-yl)-1H-pyrazole-5-carboxylic acid

C13H10ClN3O2 — CID 115108158

IUPAC3-(7-chloro-1-methylindol-3-yl)-1H-pyrazole-5-carboxylic acid
SMILESCn1cc(-c2cc(C(=O)O)[nH]n2)c2cccc(Cl)c21
InChIInChI=1S/C13H10ClN3O2/c1-17-6-8(7-3-2-4-9(14)12(7)17)10-5-11(13(18)19)16-15-10/h2-6H,1H3,(H,15,16)(H,18,19)
InChIKeyVHBHJXSXUYSWMW-UHFFFAOYSA-N
MW275.70 g/mol
LogP2.92
Rot. Bonds2

About 3-(7-chloro-1-methylindol-3-yl)-1H-pyrazole-5-carboxylic acid

3-(7-chloro-1-methylindol-3-yl)-1H-pyrazole-5-carboxylic acid (PubChem CID 115108158) has the molecular formula C13H10ClN3O2 and a molecular weight of 275.70 g/mol. Its IUPAC name is 3-(7-chloro-1-methylindol-3-yl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(7-chloro-1-methylindol-3-yl)-1H-pyrazole-5-carboxylic acid
PubChem CID115108158
Molecular FormulaC13H10ClN3O2
Molecular Weight275.70 g/mol
Exact Mass275.05
IUPAC Name3-(7-chloro-1-methylindol-3-yl)-1H-pyrazole-5-carboxylic acid
SMILESCn1cc(-c2cc(C(=O)O)[nH]n2)c2cccc(Cl)c21
InChIInChI=1S/C13H10ClN3O2/c1-17-6-8(7-3-2-4-9(14)12(7)17)10-5-11(13(18)19)16-15-10/h2-6H,1H3,(H,15,16)(H,18,19)
InChIKeyVHBHJXSXUYSWMW-UHFFFAOYSA-N
XLogP2.92
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 83395870
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CID 115111364
3-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 64592198
3-(2-chloro-4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 137017195
3-[3-chloro-2-(cyclopropylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid
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3-(2-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 83395825
ethane;3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxylic acid
CID 143757787
3-(2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117336070
3-(3-chloro-2H-indazol-4-yl)-1H-pyrazole-5-carboxylic acid
CID 117411337
3-(7-fluoro-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid
CID 115108534
[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 78794978
5-(3-chloro-1-methylindol-7-yl)-1H-pyrazol-3-amine
CID 117369289

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-1-methylindol-3-yl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(7-chloro-1-methylindol-3-yl)-1H-pyrazole-5-carboxylic acid (CID 115108158) is 3-(7-chloro-1-methylindol-3-yl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(7-chloro-1-methylindol-3-yl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(7-chloro-1-methylindol-3-yl)-1H-pyrazole-5-carboxylic acid is Cn1cc(-c2cc(C(=O)O)[nH]n2)c2cccc(Cl)c21.
What is the InChIKey of 3-(7-chloro-1-methylindol-3-yl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is VHBHJXSXUYSWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2/c1-17-6-8(7-3-2-4-9(14)12(7)17)10-5-11(13(18)19)16-15-10/h2-6H,1H3,(H,15,16)(H,18,19).
What are the key properties of 3-(7-chloro-1-methylindol-3-yl)-1H-pyrazole-5-carboxylic acid?
3-(7-chloro-1-methylindol-3-yl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 275.70 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-1-methylindol-3-yl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 115108158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).