N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine

C14H16F3N3 — CID 134791849

IUPACN-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCN(Cc1ccccc1C(F)(F)F)Cc1ccnn1C
InChIInChI=1S/C14H16F3N3/c1-19(10-12-7-8-18-20(12)2)9-11-5-3-4-6-13(11)14(15,16)17/h3-8H,9-10H2,1-2H3
InChIKeySKFPQOIHJKAGRF-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.07
Rot. Bonds4

About N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine

N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 134791849) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID134791849
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC NameN-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCN(Cc1ccccc1C(F)(F)F)Cc1ccnn1C
InChIInChI=1S/C14H16F3N3/c1-19(10-12-7-8-18-20(12)2)9-11-5-3-4-6-13(11)14(15,16)17/h3-8H,9-10H2,1-2H3
InChIKeySKFPQOIHJKAGRF-UHFFFAOYSA-N
XLogP3.07
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine (CID 134791849) is N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine is CN(Cc1ccccc1C(F)(F)F)Cc1ccnn1C.
What is the InChIKey of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is SKFPQOIHJKAGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-19(10-12-7-8-18-20(12)2)9-11-5-3-4-6-13(11)14(15,16)17/h3-8H,9-10H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 283.30 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 134791849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).