1-(3-chloro-4-fluorophenyl)-3-ethyl-5-phenylpyrazole-4-carboxylic acid

C18H14ClFN2O2 — CID 3431919

IUPAC1-(3-chloro-4-fluorophenyl)-3-ethyl-5-phenylpyrazole-4-carboxylic acid
SMILESCCc1nn(-c2ccc(F)c(Cl)c2)c(-c2ccccc2)c1C(=O)O
InChIInChI=1S/C18H14ClFN2O2/c1-2-15-16(18(23)24)17(11-6-4-3-5-7-11)22(21-15)12-8-9-14(20)13(19)10-12/h3-10H,2H2,1H3,(H,23,24)
InChIKeyDUCYDWXRCSNIKK-UHFFFAOYSA-N
MW344.77 g/mol
LogP4.59
Rot. Bonds4

About 1-(3-chloro-4-fluorophenyl)-3-ethyl-5-phenylpyrazole-4-carboxylic acid

1-(3-chloro-4-fluorophenyl)-3-ethyl-5-phenylpyrazole-4-carboxylic acid (PubChem CID 3431919) has the molecular formula C18H14ClFN2O2 and a molecular weight of 344.77 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-ethyl-5-phenylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-ethyl-5-phenylpyrazole-4-carboxylic acid
PubChem CID3431919
Molecular FormulaC18H14ClFN2O2
Molecular Weight344.77 g/mol
Exact Mass344.07
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-ethyl-5-phenylpyrazole-4-carboxylic acid
SMILESCCc1nn(-c2ccc(F)c(Cl)c2)c(-c2ccccc2)c1C(=O)O
InChIInChI=1S/C18H14ClFN2O2/c1-2-15-16(18(23)24)17(11-6-4-3-5-7-11)22(21-15)12-8-9-14(20)13(19)10-12/h3-10H,2H2,1H3,(H,23,24)
InChIKeyDUCYDWXRCSNIKK-UHFFFAOYSA-N
XLogP4.59
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.77
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-5-propyl-1H-pyrazole-4-carboxylic acid
CID 2777583
1,5-diphenyl-1H-pyrazole-4-carboxylic acid
CID 3801066
5-methyl-1,3-diphenyl-1H-pyrazole-4-carboxylic acid
CID 673680
5-(4-Chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylic acid
CID 1477243
5-Chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 839949
3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 829984
1,5-bis(4-chlorophenyl)-1H-pyrazole-3-carboxylic acid
CID 1477238
1-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid
CID 1491384
1-(4-chlorophenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid
CID 3269951
1-(4-Chlorophenyl)-3-phenyl-pyrazole-4-carboxylic acid
CID 43217704
5-(2-Chlorophenyl)-1-(3-chlorophenyl)-1H-pyrazole-3-carboxylic acid
CID 1477249
5-(2-chlorophenyl)-1-phenyl-1H-pyrazole-3-carboxylic acid
CID 1477254

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-ethyl-5-phenylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-ethyl-5-phenylpyrazole-4-carboxylic acid (CID 3431919) is 1-(3-chloro-4-fluorophenyl)-3-ethyl-5-phenylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-ethyl-5-phenylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-ethyl-5-phenylpyrazole-4-carboxylic acid is CCc1nn(-c2ccc(F)c(Cl)c2)c(-c2ccccc2)c1C(=O)O.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-ethyl-5-phenylpyrazole-4-carboxylic acid?
The InChIKey is DUCYDWXRCSNIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O2/c1-2-15-16(18(23)24)17(11-6-4-3-5-7-11)22(21-15)12-8-9-14(20)13(19)10-12/h3-10H,2H2,1H3,(H,23,24).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-ethyl-5-phenylpyrazole-4-carboxylic acid?
1-(3-chloro-4-fluorophenyl)-3-ethyl-5-phenylpyrazole-4-carboxylic acid has a molecular weight of 344.77 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-ethyl-5-phenylpyrazole-4-carboxylic acid is sourced from PubChem (CID 3431919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).