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

C13H14F3N3 — CID 105406249

IUPACN-methyl-1-[4-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
SMILESCNCc1ccc(C)c(-n2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C13H14F3N3/c1-9-3-4-10(8-17-2)7-11(9)19-6-5-12(18-19)13(14,15)16/h3-7,17H,8H2,1-2H3
InChIKeyGESGGQZSJRFBTL-UHFFFAOYSA-N
MW269.27 g/mol
LogP2.92
Rot. Bonds3

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

N-methyl-1-[4-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine (PubChem CID 105406249) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
PubChem CID105406249
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC NameN-methyl-1-[4-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
SMILESCNCc1ccc(C)c(-n2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C13H14F3N3/c1-9-3-4-10(8-17-2)7-11(9)19-6-5-12(18-19)13(14,15)16/h3-7,17H,8H2,1-2H3
InChIKeyGESGGQZSJRFBTL-UHFFFAOYSA-N
XLogP2.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propan-2-amine
CID 105406253
N-methyl-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methanamine
CID 81254012
N-methyl-1-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methanamine
CID 62441950
N-[[4-methyl-3-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine
CID 105406297
1-[5-bromo-2-[3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-N-methylmethanamine
CID 55059422
N-methyl-1-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]methanamine
CID 62287224
3-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]benzoic acid
CID 62120446
[3-bromo-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
CID 82797228
4-(methylamino)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride
CID 119746075
5-(chloromethyl)-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 81235131
1-[3-(3,5-diethyl-1,2,4-triazol-1-yl)-4-methylphenyl]-N-methylmethanamine
CID 105406400
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-methyl-1-[4-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine (CID 105406249) is N-methyl-1-[4-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine is CNCc1ccc(C)c(-n2ccc(C(F)(F)F)n2)c1.
What is the InChIKey of N-methyl-1-[4-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine?
The InChIKey is GESGGQZSJRFBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-9-3-4-10(8-17-2)7-11(9)19-6-5-12(18-19)13(14,15)16/h3-7,17H,8H2,1-2H3.
What are the key properties of N-methyl-1-[4-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine?
N-methyl-1-[4-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine has a molecular weight of 269.27 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine is sourced from PubChem (CID 105406249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).