N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-methylpyrazol-3-yl)methanamine

C13H13F4N3 — CID 115282762

IUPACN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-methylpyrazol-3-yl)methanamine
SMILESCn1nccc1CNCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C13H13F4N3/c1-20-12(2-3-19-20)8-18-7-9-4-10(13(15,16)17)6-11(14)5-9/h2-6,18H,7-8H2,1H3
InChIKeyILYZRYSMDHBHAI-UHFFFAOYSA-N
MW287.26 g/mol
LogP2.87
Rot. Bonds4

About N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-methylpyrazol-3-yl)methanamine

N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-methylpyrazol-3-yl)methanamine (PubChem CID 115282762) has the molecular formula C13H13F4N3 and a molecular weight of 287.26 g/mol. Its IUPAC name is N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-methylpyrazol-3-yl)methanamine
PubChem CID115282762
Molecular FormulaC13H13F4N3
Molecular Weight287.26 g/mol
Exact Mass287.10
IUPAC NameN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-methylpyrazol-3-yl)methanamine
SMILESCn1nccc1CNCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C13H13F4N3/c1-20-12(2-3-19-20)8-18-7-9-4-10(13(15,16)17)6-11(14)5-9/h2-6,18H,7-8H2,1H3
InChIKeyILYZRYSMDHBHAI-UHFFFAOYSA-N
XLogP2.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19625004
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 106415122
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 82882472
N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-4-ylmethanamine
CID 19626583
2,2,2-trifluoro-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43663111
1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19618976
1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 115282781
2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718481
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 115350611
1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(3,5-difluorophenyl)methyl]methanamine
CID 122168230
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 83306725
N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-methylpyrazol-3-yl)methanamine;hydrochloride
CID 126963928

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-methylpyrazol-3-yl)methanamine?
The IUPAC name of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-methylpyrazol-3-yl)methanamine (CID 115282762) is N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-methylpyrazol-3-yl)methanamine?
The canonical SMILES for N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-methylpyrazol-3-yl)methanamine is Cn1nccc1CNCc1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-methylpyrazol-3-yl)methanamine?
The InChIKey is ILYZRYSMDHBHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F4N3/c1-20-12(2-3-19-20)8-18-7-9-4-10(13(15,16)17)6-11(14)5-9/h2-6,18H,7-8H2,1H3.
What are the key properties of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-methylpyrazol-3-yl)methanamine?
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-methylpyrazol-3-yl)methanamine has a molecular weight of 287.26 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 115282762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).