(1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanamine

C13H14F3N3 — CID 102803479

IUPAC(1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanamine
SMILESCc1nn(C)cc1C(N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3N3/c1-8-11(7-19(2)18-8)12(17)9-4-3-5-10(6-9)13(14,15)16/h3-7,12H,17H2,1-2H3
InChIKeyIBAMCLHMVIKLRC-UHFFFAOYSA-N
MW269.27 g/mol
LogP2.80
Rot. Bonds2

About (1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanamine

(1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 102803479) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID102803479
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name(1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanamine
SMILESCc1nn(C)cc1C(N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3N3/c1-8-11(7-19(2)18-8)12(17)9-4-3-5-10(6-9)13(14,15)16/h3-7,12H,17H2,1-2H3
InChIKeyIBAMCLHMVIKLRC-UHFFFAOYSA-N
XLogP2.80
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dimethyl-4-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 107503114
(1,3-dimethylpyrazol-4-yl)-(4-phenylphenyl)methanamine
CID 102803820
(2-bromo-5-methylphenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 115850757
1-(1,3-dimethylpyrazol-4-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102804693
(4-fluoro-3,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 65299620
(2-bromophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 43825139
(S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine
CID 170898673
1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 17284087
(5-methyl-3-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 115374254
(1,3-dimethylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 83091773
1-[3-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105141485
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanamine (CID 102803479) is (1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanamine is Cc1nn(C)cc1C(N)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is IBAMCLHMVIKLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-8-11(7-19(2)18-8)12(17)9-4-3-5-10(6-9)13(14,15)16/h3-7,12H,17H2,1-2H3.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanamine?
(1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 269.27 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 102803479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).