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

C17H14F3N3O — CID 21272291

IUPACN-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-3-amine
SMILESCOc1ccc(Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C17H14F3N3O/c1-24-15-7-5-13(6-8-15)21-16-9-10-23(22-16)14-4-2-3-12(11-14)17(18,19)20/h2-11H,1H3,(H,21,22)
InChIKeyGEQDLQQTNZVPEW-UHFFFAOYSA-N
MW333.31 g/mol
LogP4.64
Rot. Bonds4

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

N-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-3-amine (PubChem CID 21272291) has the molecular formula C17H14F3N3O and a molecular weight of 333.31 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-3-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-3-amine
PubChem CID21272291
Molecular FormulaC17H14F3N3O
Molecular Weight333.31 g/mol
Exact Mass333.11
IUPAC NameN-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-3-amine
SMILESCOc1ccc(Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C17H14F3N3O/c1-24-15-7-5-13(6-8-15)21-16-9-10-23(22-16)14-4-2-3-12(11-14)17(18,19)20/h2-11H,1H3,(H,21,22)
InChIKeyGEQDLQQTNZVPEW-UHFFFAOYSA-N
XLogP4.64
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-3-amine?
The IUPAC name of N-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-3-amine (CID 21272291) is N-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-3-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-3-amine?
The canonical SMILES for N-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-3-amine is COc1ccc(Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-3-amine?
The InChIKey is GEQDLQQTNZVPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O/c1-24-15-7-5-13(6-8-15)21-16-9-10-23(22-16)14-4-2-3-12(11-14)17(18,19)20/h2-11H,1H3,(H,21,22).
What are the key properties of N-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-3-amine?
N-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-3-amine has a molecular weight of 333.31 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-3-amine is sourced from PubChem (CID 21272291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).