N-(2-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide

C11H6ClF4N3O — CID 16659930

IUPACN-(2-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1[nH]ncc1C(F)(F)F
InChIInChI=1S/C11H6ClF4N3O/c12-7-3-5(13)1-2-8(7)18-10(20)9-6(4-17-19-9)11(14,15)16/h1-4H,(H,17,19)(H,18,20)
InChIKeyFGOIGECNYCGBPR-UHFFFAOYSA-N
MW307.63 g/mol
LogP3.47
Rot. Bonds2

About N-(2-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide

N-(2-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide (PubChem CID 16659930) has the molecular formula C11H6ClF4N3O and a molecular weight of 307.63 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide
PubChem CID16659930
Molecular FormulaC11H6ClF4N3O
Molecular Weight307.63 g/mol
Exact Mass307.01
IUPAC NameN-(2-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1[nH]ncc1C(F)(F)F
InChIInChI=1S/C11H6ClF4N3O/c12-7-3-5(13)1-2-8(7)18-10(20)9-6(4-17-19-9)11(14,15)16/h1-4H,(H,17,19)(H,18,20)
InChIKeyFGOIGECNYCGBPR-UHFFFAOYSA-N
XLogP3.47
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.63
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-Chlorophenyl)-1H-pyrazole-3-carboxamide
CID 668390
4-bromo-5-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 122185518
4-chloro-1-ethyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 1511737
N-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxamide
CID 3495695
4-Chloro-N-(2-chloro-4-fluorophenyl)pyrazole-3-carboxamide
CID 16659602
5-Chloro-N-(2-chloro-4-fluorophenyl)pyrazole-3-carboxamide
CID 16659603
N-(2-Chloro-4-fluorophenyl)-4-fluoropyrazole-3-carboxamide
CID 16659607
N-(2-Chloro-4-fluorophenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 16659761
4,5-dichloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 16659762
N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 23056741
N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 46848506
N-(2-Chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 68947659

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide (CID 16659930) is N-(2-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(F)cc1Cl)c1[nH]ncc1C(F)(F)F.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is FGOIGECNYCGBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF4N3O/c12-7-3-5(13)1-2-8(7)18-10(20)9-6(4-17-19-9)11(14,15)16/h1-4H,(H,17,19)(H,18,20).
What are the key properties of N-(2-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide?
N-(2-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 307.63 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 16659930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).