N-[(2-methoxyphenyl)methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine

C19H18F3N3O — CID 58907083

IUPACN-[(2-methoxyphenyl)methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine
SMILESCOc1ccccc1CNc1cc(-c2ccc(C(F)(F)F)cc2)nn1C
InChIInChI=1S/C19H18F3N3O/c1-25-18(23-12-14-5-3-4-6-17(14)26-2)11-16(24-25)13-7-9-15(10-8-13)19(20,21)22/h3-11,23H,12H2,1-2H3
InChIKeyVPIUODQSCDJKEN-UHFFFAOYSA-N
MW361.37 g/mol
LogP4.73
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine

N-[(2-methoxyphenyl)methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine (PubChem CID 58907083) has the molecular formula C19H18F3N3O and a molecular weight of 361.37 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine
PubChem CID58907083
Molecular FormulaC19H18F3N3O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine
SMILESCOc1ccccc1CNc1cc(-c2ccc(C(F)(F)F)cc2)nn1C
InChIInChI=1S/C19H18F3N3O/c1-25-18(23-12-14-5-3-4-6-17(14)26-2)11-16(24-25)13-7-9-15(10-8-13)19(20,21)22/h3-11,23H,12H2,1-2H3
InChIKeyVPIUODQSCDJKEN-UHFFFAOYSA-N
XLogP4.73
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine (CID 58907083) is N-[(2-methoxyphenyl)methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine is COc1ccccc1CNc1cc(-c2ccc(C(F)(F)F)cc2)nn1C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine?
The InChIKey is VPIUODQSCDJKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O/c1-25-18(23-12-14-5-3-4-6-17(14)26-2)11-16(24-25)13-7-9-15(10-8-13)19(20,21)22/h3-11,23H,12H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine?
N-[(2-methoxyphenyl)methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine has a molecular weight of 361.37 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine is sourced from PubChem (CID 58907083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).