1-(1,3-dimethylpyrazol-4-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine

C15H18F3N3 — CID 102804693

IUPAC1-(1,3-dimethylpyrazol-4-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1ccc(C(F)(F)F)cc1C)c1cn(C)nc1C
InChIInChI=1S/C15H18F3N3/c1-9-7-11(15(16,17)18)5-6-12(9)14(19-3)13-8-21(4)20-10(13)2/h5-8,14,19H,1-4H3
InChIKeyKFYRPCOKZQHGPX-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.36
Rot. Bonds3

About 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine

1-(1,3-dimethylpyrazol-4-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine (PubChem CID 102804693) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
PubChem CID102804693
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1ccc(C(F)(F)F)cc1C)c1cn(C)nc1C
InChIInChI=1S/C15H18F3N3/c1-9-7-11(15(16,17)18)5-6-12(9)14(19-3)13-8-21(4)20-10(13)2/h5-8,14,19H,1-4H3
InChIKeyKFYRPCOKZQHGPX-UHFFFAOYSA-N
XLogP3.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-5-(trifluoromethyl)aniline
CID 66479953
1-(4-fluorophenyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753402
1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102754677
1-(2,3-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 102803776
N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 102757503
N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-1-(2H-triazol-4-yl)methanamine
CID 102754821
(1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 102803479
1-(3-chlorothiophen-2-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102757874
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102757506
1-(1,3-dimethylpyrazol-4-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 102803721
1-[2-bromo-5-(trifluoromethyl)phenyl]-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 103134947
1-(3-bromo-2-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 106647590

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine (CID 102804693) is 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine is CNC(c1ccc(C(F)(F)F)cc1C)c1cn(C)nc1C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is KFYRPCOKZQHGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-9-7-11(15(16,17)18)5-6-12(9)14(19-3)13-8-21(4)20-10(13)2/h5-8,14,19H,1-4H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
1-(1,3-dimethylpyrazol-4-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 297.32 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 102804693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).