5-[(7-ethylindol-1-yl)methyl]-1-methylpyrazole-4-carboxylic acid

C16H17N3O2 — CID 116630203

IUPAC5-[(7-ethylindol-1-yl)methyl]-1-methylpyrazole-4-carboxylic acid
SMILESCCc1cccc2ccn(Cc3c(C(=O)O)cnn3C)c12
InChIInChI=1S/C16H17N3O2/c1-3-11-5-4-6-12-7-8-19(15(11)12)10-14-13(16(20)21)9-17-18(14)2/h4-9H,3,10H2,1-2H3,(H,20,21)
InChIKeyGTYXOGQEFZMBAC-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.68
Rot. Bonds4

About 5-[(7-ethylindol-1-yl)methyl]-1-methylpyrazole-4-carboxylic acid

5-[(7-ethylindol-1-yl)methyl]-1-methylpyrazole-4-carboxylic acid (PubChem CID 116630203) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-[(7-ethylindol-1-yl)methyl]-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(7-ethylindol-1-yl)methyl]-1-methylpyrazole-4-carboxylic acid
PubChem CID116630203
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name5-[(7-ethylindol-1-yl)methyl]-1-methylpyrazole-4-carboxylic acid
SMILESCCc1cccc2ccn(Cc3c(C(=O)O)cnn3C)c12
InChIInChI=1S/C16H17N3O2/c1-3-11-5-4-6-12-7-8-19(15(11)12)10-14-13(16(20)21)9-17-18(14)2/h4-9H,3,10H2,1-2H3,(H,20,21)
InChIKeyGTYXOGQEFZMBAC-UHFFFAOYSA-N
XLogP2.68
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-ethylindol-1-yl)acetic acid
CID 28602716
4-[(7-ethylindol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664492
5-ethyl-1-methylpyrazole-4-carboxylic acid;hydrochloride
CID 54594161
4-[(7-ethylindol-1-yl)methyl]-5-methylfuran-2-carboxylic acid
CID 62273625
1-[(3-chloro-4-pyridinyl)methyl]-7-ethylindole
CID 116618712
3-(7-ethylindol-1-yl)-1-phenylpropan-1-one
CID 116691880
7-ethyl-1-[(1-methyltriazol-4-yl)methyl]indole
CID 107054395
1-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]pyrazole-4-carboxylic acid
CID 116630419
1-[(2-bromophenyl)methyl]-7-ethylindole
CID 116618984
1-[(3-chloro-2-fluorophenyl)methyl]-7-ethylindole
CID 102861491
[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]indol-7-yl]methanol
CID 102912135
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-7-ethylindole
CID 116618789

Frequently Asked Questions

What is the IUPAC name of 5-[(7-ethylindol-1-yl)methyl]-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-[(7-ethylindol-1-yl)methyl]-1-methylpyrazole-4-carboxylic acid (CID 116630203) is 5-[(7-ethylindol-1-yl)methyl]-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[(7-ethylindol-1-yl)methyl]-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-[(7-ethylindol-1-yl)methyl]-1-methylpyrazole-4-carboxylic acid is CCc1cccc2ccn(Cc3c(C(=O)O)cnn3C)c12.
What is the InChIKey of 5-[(7-ethylindol-1-yl)methyl]-1-methylpyrazole-4-carboxylic acid?
The InChIKey is GTYXOGQEFZMBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-3-11-5-4-6-12-7-8-19(15(11)12)10-14-13(16(20)21)9-17-18(14)2/h4-9H,3,10H2,1-2H3,(H,20,21).
What are the key properties of 5-[(7-ethylindol-1-yl)methyl]-1-methylpyrazole-4-carboxylic acid?
5-[(7-ethylindol-1-yl)methyl]-1-methylpyrazole-4-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-ethylindol-1-yl)methyl]-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 116630203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).