1-(3-fluorophenyl)-N-[[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]methanamine

C18H15F4N3 — CID 143794091

IUPAC1-(3-fluorophenyl)-N-[[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]methanamine
SMILESFc1cccc(CNCc2ccn(-c3ccc(C(F)(F)F)cc3)n2)c1
InChIInChI=1S/C18H15F4N3/c19-15-3-1-2-13(10-15)11-23-12-16-8-9-25(24-16)17-6-4-14(5-7-17)18(20,21)22/h1-10,23H,11-12H2
InChIKeyITPNHEUMWLSFPM-UHFFFAOYSA-N
MW349.33 g/mol
LogP4.32
Rot. Bonds5

About 1-(3-fluorophenyl)-N-[[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]methanamine

1-(3-fluorophenyl)-N-[[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]methanamine (PubChem CID 143794091) has the molecular formula C18H15F4N3 and a molecular weight of 349.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]methanamine
PubChem CID143794091
Molecular FormulaC18H15F4N3
Molecular Weight349.33 g/mol
Exact Mass349.12
IUPAC Name1-(3-fluorophenyl)-N-[[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]methanamine
SMILESFc1cccc(CNCc2ccn(-c3ccc(C(F)(F)F)cc3)n2)c1
InChIInChI=1S/C18H15F4N3/c19-15-3-1-2-13(10-15)11-23-12-16-8-9-25(24-16)17-6-4-14(5-7-17)18(20,21)22/h1-10,23H,11-12H2
InChIKeyITPNHEUMWLSFPM-UHFFFAOYSA-N
XLogP4.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-1-(3-fluorophenyl)methanamine
CID 122168263
N-[(1-methylpyrazol-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 19618959
1-(3-fluorophenyl)-N-[[1-(2-methylpropyl)pyrazol-3-yl]methyl]methanamine;hydrochloride
CID 126964397
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 82882472
1-[(3-fluorophenyl)methyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-methylguanidine;hydroiodide
CID 111877072
1-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 134862529
N-[(1-ethylpyrrol-2-yl)methyl]-1-(3-fluorophenyl)methanamine
CID 66413076
N-[(3-fluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide
CID 123902147
N-[(6-bromo-2-pyridinyl)methyl]-1-(3-fluorophenyl)methanamine
CID 112581892
N-[(3,5-difluorophenyl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine
CID 122168020
N-[(3-bromophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 60700066
1-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111420771

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]methanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-[[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]methanamine (CID 143794091) is 1-(3-fluorophenyl)-N-[[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]methanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]methanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-[[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]methanamine is Fc1cccc(CNCc2ccn(-c3ccc(C(F)(F)F)cc3)n2)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]methanamine?
The InChIKey is ITPNHEUMWLSFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4N3/c19-15-3-1-2-13(10-15)11-23-12-16-8-9-25(24-16)17-6-4-14(5-7-17)18(20,21)22/h1-10,23H,11-12H2.
What are the key properties of 1-(3-fluorophenyl)-N-[[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]methanamine?
1-(3-fluorophenyl)-N-[[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]methanamine has a molecular weight of 349.33 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]methanamine is sourced from PubChem (CID 143794091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).