5-(1-ethylpyrazol-4-yl)-1H-indole-2-carboxylic acid

C14H13N3O2 — CID 175663738

IUPAC5-(1-ethylpyrazol-4-yl)-1H-indole-2-carboxylic acid
SMILESCCn1cc(-c2ccc3[nH]c(C(=O)O)cc3c2)cn1
InChIInChI=1S/C14H13N3O2/c1-2-17-8-11(7-15-17)9-3-4-12-10(5-9)6-13(16-12)14(18)19/h3-8,16H,2H2,1H3,(H,18,19)
InChIKeyCDRJXZMXAMSMGB-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.75
Rot. Bonds3

About 5-(1-ethylpyrazol-4-yl)-1H-indole-2-carboxylic acid

5-(1-ethylpyrazol-4-yl)-1H-indole-2-carboxylic acid (PubChem CID 175663738) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-(1-ethylpyrazol-4-yl)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-ethylpyrazol-4-yl)-1H-indole-2-carboxylic acid
PubChem CID175663738
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name5-(1-ethylpyrazol-4-yl)-1H-indole-2-carboxylic acid
SMILESCCn1cc(-c2ccc3[nH]c(C(=O)O)cc3c2)cn1
InChIInChI=1S/C14H13N3O2/c1-2-17-8-11(7-15-17)9-3-4-12-10(5-9)6-13(16-12)14(18)19/h3-8,16H,2H2,1H3,(H,18,19)
InChIKeyCDRJXZMXAMSMGB-UHFFFAOYSA-N
XLogP2.75
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpyrazol-4-yl)-1H-indole-2-carboxylic acid?
The IUPAC name of 5-(1-ethylpyrazol-4-yl)-1H-indole-2-carboxylic acid (CID 175663738) is 5-(1-ethylpyrazol-4-yl)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-(1-ethylpyrazol-4-yl)-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-(1-ethylpyrazol-4-yl)-1H-indole-2-carboxylic acid is CCn1cc(-c2ccc3[nH]c(C(=O)O)cc3c2)cn1.
What is the InChIKey of 5-(1-ethylpyrazol-4-yl)-1H-indole-2-carboxylic acid?
The InChIKey is CDRJXZMXAMSMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-2-17-8-11(7-15-17)9-3-4-12-10(5-9)6-13(16-12)14(18)19/h3-8,16H,2H2,1H3,(H,18,19).
What are the key properties of 5-(1-ethylpyrazol-4-yl)-1H-indole-2-carboxylic acid?
5-(1-ethylpyrazol-4-yl)-1H-indole-2-carboxylic acid has a molecular weight of 255.28 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylpyrazol-4-yl)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 175663738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).