N,N-dimethyl-1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine

C8H12F3N3 — CID 144505632

IUPACN,N-dimethyl-1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine
SMILESCc1[nH]nc(C(F)(F)F)c1CN(C)C
InChIInChI=1S/C8H12F3N3/c1-5-6(4-14(2)3)7(13-12-5)8(9,10)11/h4H2,1-3H3,(H,12,13)
InChIKeyJJVMUPQGEQLZMU-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.80
Rot. Bonds2

About N,N-dimethyl-1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine

N,N-dimethyl-1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine (PubChem CID 144505632) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine
PubChem CID144505632
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC NameN,N-dimethyl-1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine
SMILESCc1[nH]nc(C(F)(F)F)c1CN(C)C
InChIInChI=1S/C8H12F3N3/c1-5-6(4-14(2)3)7(13-12-5)8(9,10)11/h4H2,1-3H3,(H,12,13)
InChIKeyJJVMUPQGEQLZMU-UHFFFAOYSA-N
XLogP1.80
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine (CID 144505632) is N,N-dimethyl-1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine is Cc1[nH]nc(C(F)(F)F)c1CN(C)C.
What is the InChIKey of N,N-dimethyl-1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine?
The InChIKey is JJVMUPQGEQLZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-5-6(4-14(2)3)7(13-12-5)8(9,10)11/h4H2,1-3H3,(H,12,13).
What are the key properties of N,N-dimethyl-1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine?
N,N-dimethyl-1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine has a molecular weight of 207.20 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine is sourced from PubChem (CID 144505632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).