4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]thiophene-2-carboxylic acid

C12H13ClN2O3S — CID 66438891

IUPAC4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]thiophene-2-carboxylic acid
SMILESCCn1nc(C)c(Cl)c1COc1csc(C(=O)O)c1
InChIInChI=1S/C12H13ClN2O3S/c1-3-15-9(11(13)7(2)14-15)5-18-8-4-10(12(16)17)19-6-8/h4,6H,3,5H2,1-2H3,(H,16,17)
InChIKeyWSGHYOTXCCYVES-UHFFFAOYSA-N
MW300.77 g/mol
LogP3.20
Rot. Bonds5

About 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]thiophene-2-carboxylic acid

4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]thiophene-2-carboxylic acid (PubChem CID 66438891) has the molecular formula C12H13ClN2O3S and a molecular weight of 300.77 g/mol. Its IUPAC name is 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]thiophene-2-carboxylic acid
PubChem CID66438891
Molecular FormulaC12H13ClN2O3S
Molecular Weight300.77 g/mol
Exact Mass300.03
IUPAC Name4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]thiophene-2-carboxylic acid
SMILESCCn1nc(C)c(Cl)c1COc1csc(C(=O)O)c1
InChIInChI=1S/C12H13ClN2O3S/c1-3-15-9(11(13)7(2)14-15)5-18-8-4-10(12(16)17)19-6-8/h4,6H,3,5H2,1-2H3,(H,16,17)
InChIKeyWSGHYOTXCCYVES-UHFFFAOYSA-N
XLogP3.20
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]thiophene-2-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

2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-5-iodobenzoic acid
CID 82991140
4-[(1-propan-2-ylpyrazol-3-yl)methoxy]thiophene-2-carboxylic acid
CID 66437561
5-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-(hydroxymethyl)pyran-4-one
CID 79869025
4-[(4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 66436440
4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]thiophene-2-carboxylic acid
CID 66439304
(1S)-1-[4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]propan-1-amine
CID 79025747
4-[(5-ethylthiophen-2-yl)methoxy]thiophene-2-carboxylic acid
CID 66436704
4-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methoxy]thiophene-2-carboxylic acid
CID 66439315
4-chloro-1-ethyl-3-methyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole
CID 80999468
4-[(5-chloro-2-fluorophenyl)methoxy]thiophene-2-carboxylic acid
CID 103046291
4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]thiophene-2-carboxylic acid
CID 66438006
4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]cyclohexane-1-carboxylic acid
CID 114451002

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]thiophene-2-carboxylic acid (CID 66438891) is 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]thiophene-2-carboxylic acid is CCn1nc(C)c(Cl)c1COc1csc(C(=O)O)c1.
What is the InChIKey of 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]thiophene-2-carboxylic acid?
The InChIKey is WSGHYOTXCCYVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3S/c1-3-15-9(11(13)7(2)14-15)5-18-8-4-10(12(16)17)19-6-8/h4,6H,3,5H2,1-2H3,(H,16,17).
What are the key properties of 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]thiophene-2-carboxylic acid?
4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]thiophene-2-carboxylic acid has a molecular weight of 300.77 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 66438891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).