(4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone

C13H10ClF3N2O — CID 57229861

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESCCn1ncc(Cl)c1C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H10ClF3N2O/c1-2-19-11(10(14)7-18-19)12(20)8-3-5-9(6-4-8)13(15,16)17/h3-7H,2H2,1H3
InChIKeyZFWUBVODNAYVQK-UHFFFAOYSA-N
MW302.68 g/mol
LogP3.81
Rot. Bonds3

About (4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone

(4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 57229861) has the molecular formula C13H10ClF3N2O and a molecular weight of 302.68 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone
PubChem CID57229861
Molecular FormulaC13H10ClF3N2O
Molecular Weight302.68 g/mol
Exact Mass302.04
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESCCn1ncc(Cl)c1C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H10ClF3N2O/c1-2-19-11(10(14)7-18-19)12(20)8-3-5-9(6-4-8)13(15,16)17/h3-7H,2H2,1H3
InChIKeyZFWUBVODNAYVQK-UHFFFAOYSA-N
XLogP3.81
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.68
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 115809281
(4-aminophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114668108
[2-amino-5-(trifluoromethyl)phenyl]-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114642238
(4-chloro-1-ethylpyrazol-5-yl)-(3-chlorophenyl)methanone
CID 54068469
(4-bromo-1-propylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 115804628
(4-amino-3,5-dichlorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114671121
(3-amino-5-bromophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114670517
(4-bromo-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 114638877
(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone
CID 115803927
(4-chloro-1-ethylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 105130314
(3-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 114642070
(4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 105040696

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone (CID 57229861) is (4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone is CCn1ncc(Cl)c1C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is ZFWUBVODNAYVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2O/c1-2-19-11(10(14)7-18-19)12(20)8-3-5-9(6-4-8)13(15,16)17/h3-7H,2H2,1H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone?
(4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 302.68 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 57229861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).