4-(2,6-dichlorophenyl)-1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine

C17H12Cl2F3N3 — CID 100560803

IUPAC4-(2,6-dichlorophenyl)-1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCc1cccc(-n2nc(C(F)(F)F)c(-c3c(Cl)cccc3Cl)c2N)c1
InChIInChI=1S/C17H12Cl2F3N3/c1-9-4-2-5-10(8-9)25-16(23)14(15(24-25)17(20,21)22)13-11(18)6-3-7-12(13)19/h2-8H,23H2,1H3
InChIKeyPEWKFEJNOCVWKA-UHFFFAOYSA-N
MW386.20 g/mol
LogP5.76
Rot. Bonds2

About 4-(2,6-dichlorophenyl)-1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine

4-(2,6-dichlorophenyl)-1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 100560803) has the molecular formula C17H12Cl2F3N3 and a molecular weight of 386.20 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)-1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)-1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID100560803
Molecular FormulaC17H12Cl2F3N3
Molecular Weight386.20 g/mol
Exact Mass385.04
IUPAC Name4-(2,6-dichlorophenyl)-1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCc1cccc(-n2nc(C(F)(F)F)c(-c3c(Cl)cccc3Cl)c2N)c1
InChIInChI=1S/C17H12Cl2F3N3/c1-9-4-2-5-10(8-9)25-16(23)14(15(24-25)17(20,21)22)13-11(18)6-3-7-12(13)19/h2-8H,23H2,1H3
InChIKeyPEWKFEJNOCVWKA-UHFFFAOYSA-N
XLogP5.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.20
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chloro-6-fluorophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 100560606
4-(4-methoxyphenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 100561144
1-(4-chlorophenyl)-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine
CID 71384169
4-(3-bromophenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 100560928
5-amino-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 139697479
5-amino-3-tert-butyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 155528637
4-(3,4-dimethoxyphenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 100561206
4-(4-bromophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 100560964
4-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 100561110
4-(3,4-dichlorophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
CID 66875265
4-(chloromethyl)-1-(3-methylphenyl)-5-(trifluoromethyl)pyrazole
CID 66436395
5-methyl-2-(3-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine
CID 83862460

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenyl)-1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 4-(2,6-dichlorophenyl)-1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine (CID 100560803) is 4-(2,6-dichlorophenyl)-1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(2,6-dichlorophenyl)-1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 4-(2,6-dichlorophenyl)-1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine is Cc1cccc(-n2nc(C(F)(F)F)c(-c3c(Cl)cccc3Cl)c2N)c1.
What is the InChIKey of 4-(2,6-dichlorophenyl)-1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is PEWKFEJNOCVWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2F3N3/c1-9-4-2-5-10(8-9)25-16(23)14(15(24-25)17(20,21)22)13-11(18)6-3-7-12(13)19/h2-8H,23H2,1H3.
What are the key properties of 4-(2,6-dichlorophenyl)-1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine?
4-(2,6-dichlorophenyl)-1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 386.20 g/mol, XLogP of 5.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorophenyl)-1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 100560803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).