2-(2,4-dichlorophenyl)-3-methyl-3,4-dihydropyrazole-5-carboxylic acid

C11H10Cl2N2O2 — CID 143723671

IUPAC2-(2,4-dichlorophenyl)-3-methyl-3,4-dihydropyrazole-5-carboxylic acid
SMILESCC1CC(C(=O)O)=NN1c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N2O2/c1-6-4-9(11(16)17)14-15(6)10-3-2-7(12)5-8(10)13/h2-3,5-6H,4H2,1H3,(H,16,17)
InChIKeyQTIPYKGXDILJMT-UHFFFAOYSA-N
MW273.12 g/mol
LogP3.03
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-3-methyl-3,4-dihydropyrazole-5-carboxylic acid

2-(2,4-dichlorophenyl)-3-methyl-3,4-dihydropyrazole-5-carboxylic acid (PubChem CID 143723671) has the molecular formula C11H10Cl2N2O2 and a molecular weight of 273.12 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3-methyl-3,4-dihydropyrazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3-methyl-3,4-dihydropyrazole-5-carboxylic acid
PubChem CID143723671
Molecular FormulaC11H10Cl2N2O2
Molecular Weight273.12 g/mol
Exact Mass272.01
IUPAC Name2-(2,4-dichlorophenyl)-3-methyl-3,4-dihydropyrazole-5-carboxylic acid
SMILESCC1CC(C(=O)O)=NN1c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N2O2/c1-6-4-9(11(16)17)14-15(6)10-3-2-7(12)5-8(10)13/h2-3,5-6H,4H2,1H3,(H,16,17)
InChIKeyQTIPYKGXDILJMT-UHFFFAOYSA-N
XLogP3.03
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromo-5-methylthiophen-2-yl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxylic acid
CID 154075310
3-(3-bromothiophen-2-yl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxylic acid
CID 154075312
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-methyl-3,4-dihydropyrazole-5-carboxamide
CID 143394981
(3R,4R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxylic acid
CID 15986551
(3S)-2-(5-chloro-2-methylphenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid
CID 95657035
3-O-tert-butyl 5-O-ethyl 2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-3,5-dicarboxylate
CID 67764413
(3R)-2-(2,4-dichlorophenyl)-3-iodo-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
CID 89378026
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N,N-diethyl-3,4-dihydropyrazole-5-carboxamide
CID 11339280
(3S,4R)-3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxylic acid
CID 66705688
(3S,4R)-3-(5-bromo-2,3-dihydrothiophen-2-yl)-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxylic acid
CID 67592141
2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxamide
CID 71161115
3-(4-chlorophenyl)-N-cyclopropyl-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide
CID 58326291

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-3-methyl-3,4-dihydropyrazole-5-carboxylic acid?
The IUPAC name of 2-(2,4-dichlorophenyl)-3-methyl-3,4-dihydropyrazole-5-carboxylic acid (CID 143723671) is 2-(2,4-dichlorophenyl)-3-methyl-3,4-dihydropyrazole-5-carboxylic acid.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3-methyl-3,4-dihydropyrazole-5-carboxylic acid?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3-methyl-3,4-dihydropyrazole-5-carboxylic acid is CC1CC(C(=O)O)=NN1c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3-methyl-3,4-dihydropyrazole-5-carboxylic acid?
The InChIKey is QTIPYKGXDILJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O2/c1-6-4-9(11(16)17)14-15(6)10-3-2-7(12)5-8(10)13/h2-3,5-6H,4H2,1H3,(H,16,17).
What are the key properties of 2-(2,4-dichlorophenyl)-3-methyl-3,4-dihydropyrazole-5-carboxylic acid?
2-(2,4-dichlorophenyl)-3-methyl-3,4-dihydropyrazole-5-carboxylic acid has a molecular weight of 273.12 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-3-methyl-3,4-dihydropyrazole-5-carboxylic acid is sourced from PubChem (CID 143723671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).