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

C13H14F3N3 — CID 62441950

IUPACN-methyl-1-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methanamine
SMILESCNCc1ccc(Cn2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C13H14F3N3/c1-17-8-10-2-4-11(5-3-10)9-19-7-6-12(18-19)13(14,15)16/h2-7,17H,8-9H2,1H3
InChIKeyBKQVZPRMTMSATK-UHFFFAOYSA-N
MW269.27 g/mol
LogP2.67
Rot. Bonds4

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

N-methyl-1-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methanamine (PubChem CID 62441950) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is N-methyl-1-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methanamine
PubChem CID62441950
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC NameN-methyl-1-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methanamine
SMILESCNCc1ccc(Cn2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C13H14F3N3/c1-17-8-10-2-4-11(5-3-10)9-19-7-6-12(18-19)13(14,15)16/h2-7,17H,8-9H2,1H3
InChIKeyBKQVZPRMTMSATK-UHFFFAOYSA-N
XLogP2.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-(1H-pyrazol-1-ylmethyl)benzonitrile
CID 8834695
(1-methyl-1H-pyrazol-5-yl)(phenyl)methanamine
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CID 11126737

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methanamine (CID 62441950) is N-methyl-1-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methanamine is CNCc1ccc(Cn2ccc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-methyl-1-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methanamine?
The InChIKey is BKQVZPRMTMSATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-17-8-10-2-4-11(5-3-10)9-19-7-6-12(18-19)13(14,15)16/h2-7,17H,8-9H2,1H3.
What are the key properties of N-methyl-1-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methanamine?
N-methyl-1-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methanamine has a molecular weight of 269.27 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methanamine is sourced from PubChem (CID 62441950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).