3-(3,5-dichlorophenyl)-5-ethyl-1-phenylpyrazole-4-carboxylic acid

C18H14Cl2N2O2 — CID 3846496

IUPAC3-(3,5-dichlorophenyl)-5-ethyl-1-phenylpyrazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)c(-c2cc(Cl)cc(Cl)c2)nn1-c1ccccc1
InChIInChI=1S/C18H14Cl2N2O2/c1-2-15-16(18(23)24)17(11-8-12(19)10-13(20)9-11)21-22(15)14-6-4-3-5-7-14/h3-10H,2H2,1H3,(H,23,24)
InChIKeyDDUSZSXHCSSXTP-UHFFFAOYSA-N
MW361.23 g/mol
LogP5.11
Rot. Bonds4

About 3-(3,5-dichlorophenyl)-5-ethyl-1-phenylpyrazole-4-carboxylic acid

3-(3,5-dichlorophenyl)-5-ethyl-1-phenylpyrazole-4-carboxylic acid (PubChem CID 3846496) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-5-ethyl-1-phenylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-5-ethyl-1-phenylpyrazole-4-carboxylic acid
PubChem CID3846496
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC Name3-(3,5-dichlorophenyl)-5-ethyl-1-phenylpyrazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)c(-c2cc(Cl)cc(Cl)c2)nn1-c1ccccc1
InChIInChI=1S/C18H14Cl2N2O2/c1-2-15-16(18(23)24)17(11-8-12(19)10-13(20)9-11)21-22(15)14-6-4-3-5-7-14/h3-10H,2H2,1H3,(H,23,24)
InChIKeyDDUSZSXHCSSXTP-UHFFFAOYSA-N
XLogP5.11
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.23
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-5-ethyl-1-phenylpyrazole-4-carboxylic acid?
The IUPAC name of 3-(3,5-dichlorophenyl)-5-ethyl-1-phenylpyrazole-4-carboxylic acid (CID 3846496) is 3-(3,5-dichlorophenyl)-5-ethyl-1-phenylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-5-ethyl-1-phenylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-(3,5-dichlorophenyl)-5-ethyl-1-phenylpyrazole-4-carboxylic acid is CCc1c(C(=O)O)c(-c2cc(Cl)cc(Cl)c2)nn1-c1ccccc1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-5-ethyl-1-phenylpyrazole-4-carboxylic acid?
The InChIKey is DDUSZSXHCSSXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c1-2-15-16(18(23)24)17(11-8-12(19)10-13(20)9-11)21-22(15)14-6-4-3-5-7-14/h3-10H,2H2,1H3,(H,23,24).
What are the key properties of 3-(3,5-dichlorophenyl)-5-ethyl-1-phenylpyrazole-4-carboxylic acid?
3-(3,5-dichlorophenyl)-5-ethyl-1-phenylpyrazole-4-carboxylic acid has a molecular weight of 361.23 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-5-ethyl-1-phenylpyrazole-4-carboxylic acid is sourced from PubChem (CID 3846496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).