N-[[4-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propan-2-amine

C15H18F3N3 — CID 105406253

IUPACN-[[4-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propan-2-amine
SMILESCc1ccc(CNC(C)C)cc1-n1ccc(C(F)(F)F)n1
InChIInChI=1S/C15H18F3N3/c1-10(2)19-9-12-5-4-11(3)13(8-12)21-7-6-14(20-21)15(16,17)18/h4-8,10,19H,9H2,1-3H3
InChIKeyJLVCNOZHMRMFGD-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.70
Rot. Bonds4

About N-[[4-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propan-2-amine

N-[[4-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propan-2-amine (PubChem CID 105406253) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[[4-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propan-2-amine
PubChem CID105406253
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC NameN-[[4-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propan-2-amine
SMILESCc1ccc(CNC(C)C)cc1-n1ccc(C(F)(F)F)n1
InChIInChI=1S/C15H18F3N3/c1-10(2)19-9-12-5-4-11(3)13(8-12)21-7-6-14(20-21)15(16,17)18/h4-8,10,19H,9H2,1-3H3
InChIKeyJLVCNOZHMRMFGD-UHFFFAOYSA-N
XLogP3.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[4-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
CID 105406249
1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrazole-3-carboxamide
CID 64782497
N-[[4-methyl-3-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine
CID 105406297
N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]propan-2-amine
CID 105408916
N-[[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]propan-2-amine
CID 62442947
N-[1-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]propan-1-amine
CID 79166250
3-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]benzoic acid
CID 62120446
[3-bromo-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
CID 82797228
5-(chloromethyl)-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 81235131
N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine
CID 62222871
N-[[3-(2,3-difluoro-4-methylphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 107514165
N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 34486049

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propan-2-amine (CID 105406253) is N-[[4-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propan-2-amine is Cc1ccc(CNC(C)C)cc1-n1ccc(C(F)(F)F)n1.
What is the InChIKey of N-[[4-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propan-2-amine?
The InChIKey is JLVCNOZHMRMFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-10(2)19-9-12-5-4-11(3)13(8-12)21-7-6-14(20-21)15(16,17)18/h4-8,10,19H,9H2,1-3H3.
What are the key properties of N-[[4-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propan-2-amine?
N-[[4-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propan-2-amine has a molecular weight of 297.32 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 105406253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).