4-chloro-1-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrazole-3-carboxylic acid

C14H13ClN2O3 — CID 19618760

IUPAC4-chloro-1-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(COc2ccc3c(c2)CCC3)cc1Cl
InChIInChI=1S/C14H13ClN2O3/c15-12-7-17(16-13(12)14(18)19)8-20-11-5-4-9-2-1-3-10(9)6-11/h4-7H,1-3,8H2,(H,18,19)
InChIKeyCESADDVKHPQLFT-UHFFFAOYSA-N
MW292.72 g/mol
LogP2.76
Rot. Bonds4

About 4-chloro-1-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrazole-3-carboxylic acid

4-chloro-1-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrazole-3-carboxylic acid (PubChem CID 19618760) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 4-chloro-1-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-chloro-1-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrazole-3-carboxylic acid
PubChem CID19618760
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name4-chloro-1-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(COc2ccc3c(c2)CCC3)cc1Cl
InChIInChI=1S/C14H13ClN2O3/c15-12-7-17(16-13(12)14(18)19)8-20-11-5-4-9-2-1-3-10(9)6-11/h4-7H,1-3,8H2,(H,18,19)
InChIKeyCESADDVKHPQLFT-UHFFFAOYSA-N
XLogP2.76
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-1-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxylic acid
CID 7017348
4-chloro-1-[(3-methylphenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618777
4-chloro-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618737
4-chloro-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618765
1-[(3-chloro-4-fluorophenoxy)methyl]-4-nitropyrazole-3-carboxylic acid
CID 19618872
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 9226254
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-5-methyl-1,2-oxazole-3-carboxylic acid
CID 19623168
1-[(3-chloro-4-fluorophenoxy)methyl]pyrazole-3-carboxylic acid
CID 7017307
4-chloro-1-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618748
1-(2,3-dihydro-1H-inden-5-yl)-4-hydroxypyrazole-3-carboxylic acid
CID 43246389
2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethylamino]acetic acid
CID 94689863
1-(4-chlorophenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)ethanone
CID 43411846

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrazole-3-carboxylic acid?
The IUPAC name of 4-chloro-1-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrazole-3-carboxylic acid (CID 19618760) is 4-chloro-1-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-chloro-1-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 4-chloro-1-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrazole-3-carboxylic acid is O=C(O)c1nn(COc2ccc3c(c2)CCC3)cc1Cl.
What is the InChIKey of 4-chloro-1-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrazole-3-carboxylic acid?
The InChIKey is CESADDVKHPQLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c15-12-7-17(16-13(12)14(18)19)8-20-11-5-4-9-2-1-3-10(9)6-11/h4-7H,1-3,8H2,(H,18,19).
What are the key properties of 4-chloro-1-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrazole-3-carboxylic acid?
4-chloro-1-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrazole-3-carboxylic acid has a molecular weight of 292.72 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 19618760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).