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

C18H16F3N3O — CID 2742740

IUPAC1-(3,4-dimethylphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine
SMILESCc1ccc(-n2nc(-c3ccc(OC(F)(F)F)cc3)cc2N)cc1C
InChIInChI=1S/C18H16F3N3O/c1-11-3-6-14(9-12(11)2)24-17(22)10-16(23-24)13-4-7-15(8-5-13)25-18(19,20)21/h3-10H,22H2,1-2H3
InChIKeyBJYKUXNBARGUMG-UHFFFAOYSA-N
MW347.34 g/mol
LogP4.64
Rot. Bonds3

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

1-(3,4-dimethylphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine (PubChem CID 2742740) has the molecular formula C18H16F3N3O and a molecular weight of 347.34 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine
PubChem CID2742740
Molecular FormulaC18H16F3N3O
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC Name1-(3,4-dimethylphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine
SMILESCc1ccc(-n2nc(-c3ccc(OC(F)(F)F)cc3)cc2N)cc1C
InChIInChI=1S/C18H16F3N3O/c1-11-3-6-14(9-12(11)2)24-17(22)10-16(23-24)13-4-7-15(8-5-13)25-18(19,20)21/h3-10H,22H2,1-2H3
InChIKeyBJYKUXNBARGUMG-UHFFFAOYSA-N
XLogP4.64
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine (CID 2742740) is 1-(3,4-dimethylphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine is Cc1ccc(-n2nc(-c3ccc(OC(F)(F)F)cc3)cc2N)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine?
The InChIKey is BJYKUXNBARGUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O/c1-11-3-6-14(9-12(11)2)24-17(22)10-16(23-24)13-4-7-15(8-5-13)25-18(19,20)21/h3-10H,22H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine?
1-(3,4-dimethylphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine has a molecular weight of 347.34 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine is sourced from PubChem (CID 2742740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).