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

C7H10F3N3 — CID 23551673

IUPACN,N-dimethyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
SMILESCN(C)Cc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C7H10F3N3/c1-13(2)4-5-3-6(12-11-5)7(8,9)10/h3H,4H2,1-2H3,(H,11,12)
InChIKeyXVCBVGOAOUURRD-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.49
Rot. Bonds2

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

N,N-dimethyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine (PubChem CID 23551673) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
PubChem CID23551673
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC NameN,N-dimethyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
SMILESCN(C)Cc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C7H10F3N3/c1-13(2)4-5-3-6(12-11-5)7(8,9)10/h3H,4H2,1-2H3,(H,11,12)
InChIKeyXVCBVGOAOUURRD-UHFFFAOYSA-N
XLogP1.49
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.49
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-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine (CID 23551673) is N,N-dimethyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine is CN(C)Cc1cc(C(F)(F)F)n[nH]1.
What is the InChIKey of N,N-dimethyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine?
The InChIKey is XVCBVGOAOUURRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c1-13(2)4-5-3-6(12-11-5)7(8,9)10/h3H,4H2,1-2H3,(H,11,12).
What are the key properties of N,N-dimethyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine?
N,N-dimethyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine has a molecular weight of 193.17 g/mol, XLogP of 1.49, 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-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine is sourced from PubChem (CID 23551673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).