3-(3,5-dichlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine

C16H10Cl2F3N3O — CID 58186760

IUPAC3-(3,5-dichlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine
SMILESNc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H10Cl2F3N3O/c17-10-5-9(6-11(18)7-10)14-8-15(22)24(23-14)12-1-3-13(4-2-12)25-16(19,20)21/h1-8H,22H2
InChIKeyALKDHAICALXOJU-UHFFFAOYSA-N
MW388.18 g/mol
LogP5.33
Rot. Bonds3

About 3-(3,5-dichlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine

3-(3,5-dichlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine (PubChem CID 58186760) has the molecular formula C16H10Cl2F3N3O and a molecular weight of 388.18 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine
PubChem CID58186760
Molecular FormulaC16H10Cl2F3N3O
Molecular Weight388.18 g/mol
Exact Mass387.02
IUPAC Name3-(3,5-dichlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine
SMILESNc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H10Cl2F3N3O/c17-10-5-9(6-11(18)7-10)14-8-15(22)24(23-14)12-1-3-13(4-2-12)25-16(19,20)21/h1-8H,22H2
InChIKeyALKDHAICALXOJU-UHFFFAOYSA-N
XLogP5.33
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.18
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]triazol-4-amine
CID 15998416
methyl 3-(4-chlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazole-5-carboxylate
CID 175820685
2-[5-amino-3-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]acetic acid
CID 166086691
2-[5-amino-3-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethanol
CID 116628785
5-(4-aminophenyl)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-amine
CID 155586796
5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086673
3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)pyrazol-5-amine
CID 43542636
3-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)pyrazol-5-amine
CID 91872028
3-chloro-4-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole
CID 63384165
4-(4-fluorophenyl)-6,7-dimethyl-2-[4-(trifluoromethoxy)phenyl]phthalazin-1-one
CID 172592812
N-[(2Z)-2-amino-2-[(methylideneamino)hydrazinylidene]ethyl]-4-[[3-(3,5-dichlorophenyl)-5-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]benzamide
CID 87419813
2-[3-chloro-5-[4-(trifluoromethoxy)phenyl]phenyl]ethanamine
CID 134629862

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine?
The IUPAC name of 3-(3,5-dichlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine (CID 58186760) is 3-(3,5-dichlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine?
The canonical SMILES for 3-(3,5-dichlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine is Nc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine?
The InChIKey is ALKDHAICALXOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2F3N3O/c17-10-5-9(6-11(18)7-10)14-8-15(22)24(23-14)12-1-3-13(4-2-12)25-16(19,20)21/h1-8H,22H2.
What are the key properties of 3-(3,5-dichlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine?
3-(3,5-dichlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine has a molecular weight of 388.18 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine is sourced from PubChem (CID 58186760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).