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

C16H10Cl2F3N3O — CID 2820855

IUPAC1-(3,4-dichlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine
SMILESNc1cc(-c2ccc(OC(F)(F)F)cc2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H10Cl2F3N3O/c17-12-6-3-10(7-13(12)18)24-15(22)8-14(23-24)9-1-4-11(5-2-9)25-16(19,20)21/h1-8H,22H2
InChIKeySQHJMHGJKRWWON-UHFFFAOYSA-N
MW388.18 g/mol
LogP5.33
Rot. Bonds3

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

1-(3,4-dichlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine (PubChem CID 2820855) has the molecular formula C16H10Cl2F3N3O and a molecular weight of 388.18 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine
PubChem CID2820855
Molecular FormulaC16H10Cl2F3N3O
Molecular Weight388.18 g/mol
Exact Mass387.02
IUPAC Name1-(3,4-dichlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine
SMILESNc1cc(-c2ccc(OC(F)(F)F)cc2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H10Cl2F3N3O/c17-12-6-3-10(7-13(12)18)24-15(22)8-14(23-24)9-1-4-11(5-2-9)25-16(19,20)21/h1-8H,22H2
InChIKeySQHJMHGJKRWWON-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

1-(3,4-dimethylphenyl)-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-5-amine
CID 2742740
1-(4-Chloro-phenyl)-5-(4-methoxy-phenyl)-3-trifluoromethyl-1H-pyrazole
CID 10360688
N-[1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-3-fluorobenzenesulfonamide
CID 2742750
2-(4-Chlorophenyl)-5-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine
CID 2820830
3-(4-Methoxyphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 4056290
3-(4-Chlorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-5-amine
CID 4226230
1-(3-Chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazol-5-amine
CID 4243632
3-(4-Methoxyphenyl)-1-(2-methylphenyl)-1H-pyraole-5-amine
CID 4250873
3-(4-Methoxyphenyl)-1-(4-methylphenyl)-1H-pyrazol-5-amine
CID 4347144
1-(4-Fluorophenyl)-3-(4-methoxyphenyl)-1H-pyrazol-5-amine
CID 4535462
3-(4-methoxyphenyl)-1-(3-methylphenyl)-1H-pyrazol-5-amine
CID 16228202
1-(3,4-Dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-amine
CID 2742644

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine (CID 2820855) is 1-(3,4-dichlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine is Nc1cc(-c2ccc(OC(F)(F)F)cc2)nn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine?
The InChIKey is SQHJMHGJKRWWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2F3N3O/c17-12-6-3-10(7-13(12)18)24-15(22)8-14(23-24)9-1-4-11(5-2-9)25-16(19,20)21/h1-8H,22H2.
What are the key properties of 1-(3,4-dichlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine?
1-(3,4-dichlorophenyl)-3-[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 1-(3,4-dichlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine is sourced from PubChem (CID 2820855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).