[5-methyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]methanamine

C18H16F3N3O — CID 11462152

IUPAC[5-methyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]methanamine
SMILESCc1cc(CN)nn1-c1cccc(-c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C18H16F3N3O/c1-12-9-14(11-22)23-24(12)15-6-4-5-13(10-15)16-7-2-3-8-17(16)25-18(19,20)21/h2-10H,11,22H2,1H3
InChIKeyQSBBGQRUMPGQGP-UHFFFAOYSA-N
MW347.34 g/mol
LogP4.21
Rot. Bonds4

About [5-methyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]methanamine

[5-methyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]methanamine (PubChem CID 11462152) has the molecular formula C18H16F3N3O and a molecular weight of 347.34 g/mol. Its IUPAC name is [5-methyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]methanamine
PubChem CID11462152
Molecular FormulaC18H16F3N3O
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC Name[5-methyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]methanamine
SMILESCc1cc(CN)nn1-c1cccc(-c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C18H16F3N3O/c1-12-9-14(11-22)23-24(12)15-6-4-5-13(10-15)16-7-2-3-8-17(16)25-18(19,20)21/h2-10H,11,22H2,1H3
InChIKeyQSBBGQRUMPGQGP-UHFFFAOYSA-N
XLogP4.21
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]methanamine?
The IUPAC name of [5-methyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]methanamine (CID 11462152) is [5-methyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]methanamine.
What is the SMILES notation for [5-methyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]methanamine?
The canonical SMILES for [5-methyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]methanamine is Cc1cc(CN)nn1-c1cccc(-c2ccccc2OC(F)(F)F)c1.
What is the InChIKey of [5-methyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]methanamine?
The InChIKey is QSBBGQRUMPGQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O/c1-12-9-14(11-22)23-24(12)15-6-4-5-13(10-15)16-7-2-3-8-17(16)25-18(19,20)21/h2-10H,11,22H2,1H3.
What are the key properties of [5-methyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]methanamine?
[5-methyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]methanamine has a molecular weight of 347.34 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]methanamine is sourced from PubChem (CID 11462152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).