4-(2,3-dihydro-1H-inden-4-yl)-1-ethylpyrazole-3-carboxylic acid

C15H16N2O2 — CID 167748784

IUPAC4-(2,3-dihydro-1H-inden-4-yl)-1-ethylpyrazole-3-carboxylic acid
SMILESCCn1cc(-c2cccc3c2CCC3)c(C(=O)O)n1
InChIInChI=1S/C15H16N2O2/c1-2-17-9-13(14(16-17)15(18)19)12-8-4-6-10-5-3-7-11(10)12/h4,6,8-9H,2-3,5,7H2,1H3,(H,18,19)
InChIKeyCOQUIRPSFBATDA-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.76
Rot. Bonds3

About 4-(2,3-dihydro-1H-inden-4-yl)-1-ethylpyrazole-3-carboxylic acid

4-(2,3-dihydro-1H-inden-4-yl)-1-ethylpyrazole-3-carboxylic acid (PubChem CID 167748784) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-4-yl)-1-ethylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-4-yl)-1-ethylpyrazole-3-carboxylic acid
PubChem CID167748784
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name4-(2,3-dihydro-1H-inden-4-yl)-1-ethylpyrazole-3-carboxylic acid
SMILESCCn1cc(-c2cccc3c2CCC3)c(C(=O)O)n1
InChIInChI=1S/C15H16N2O2/c1-2-17-9-13(14(16-17)15(18)19)12-8-4-6-10-5-3-7-11(10)12/h4,6,8-9H,2-3,5,7H2,1H3,(H,18,19)
InChIKeyCOQUIRPSFBATDA-UHFFFAOYSA-N
XLogP2.76
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-4-yl)-1-ethylpyrazole-3-carboxylic acid?
The IUPAC name of 4-(2,3-dihydro-1H-inden-4-yl)-1-ethylpyrazole-3-carboxylic acid (CID 167748784) is 4-(2,3-dihydro-1H-inden-4-yl)-1-ethylpyrazole-3-carboxylic acid.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-4-yl)-1-ethylpyrazole-3-carboxylic acid?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-4-yl)-1-ethylpyrazole-3-carboxylic acid is CCn1cc(-c2cccc3c2CCC3)c(C(=O)O)n1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-4-yl)-1-ethylpyrazole-3-carboxylic acid?
The InChIKey is COQUIRPSFBATDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-17-9-13(14(16-17)15(18)19)12-8-4-6-10-5-3-7-11(10)12/h4,6,8-9H,2-3,5,7H2,1H3,(H,18,19).
What are the key properties of 4-(2,3-dihydro-1H-inden-4-yl)-1-ethylpyrazole-3-carboxylic acid?
4-(2,3-dihydro-1H-inden-4-yl)-1-ethylpyrazole-3-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-4-yl)-1-ethylpyrazole-3-carboxylic acid is sourced from PubChem (CID 167748784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).