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

C11H14F3N5 — CID 19625447

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
SMILESCc1nn(C)cc1CNCc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C11H14F3N5/c1-7-8(6-19(2)18-7)4-15-5-9-3-10(17-16-9)11(12,13)14/h3,6,15H,4-5H2,1-2H3,(H,16,17)
InChIKeyVJHPJNYTGZQANB-UHFFFAOYSA-N
MW273.26 g/mol
LogP1.76
Rot. Bonds4

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

N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine (PubChem CID 19625447) has the molecular formula C11H14F3N5 and a molecular weight of 273.26 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
PubChem CID19625447
Molecular FormulaC11H14F3N5
Molecular Weight273.26 g/mol
Exact Mass273.12
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
SMILESCc1nn(C)cc1CNCc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C11H14F3N5/c1-7-8(6-19(2)18-7)4-15-5-9-3-10(17-16-9)11(12,13)14/h3,6,15H,4-5H2,1-2H3,(H,16,17)
InChIKeyVJHPJNYTGZQANB-UHFFFAOYSA-N
XLogP1.76
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine (CID 19625447) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine is Cc1nn(C)cc1CNCc1cc(C(F)(F)F)n[nH]1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine?
The InChIKey is VJHPJNYTGZQANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5/c1-7-8(6-19(2)18-7)4-15-5-9-3-10(17-16-9)11(12,13)14/h3,6,15H,4-5H2,1-2H3,(H,16,17).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine has a molecular weight of 273.26 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine is sourced from PubChem (CID 19625447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).