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

C11H14F3N5 — CID 19625478

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
SMILESCCn1cc(CNCc2cc(C(F)(F)F)n[nH]2)cn1
InChIInChI=1S/C11H14F3N5/c1-2-19-7-8(5-16-19)4-15-6-9-3-10(18-17-9)11(12,13)14/h3,5,7,15H,2,4,6H2,1H3,(H,17,18)
InChIKeySIQSOYFFAONBIB-UHFFFAOYSA-N
MW273.26 g/mol
LogP1.93
Rot. Bonds5

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

N-[(1-ethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine (PubChem CID 19625478) has the molecular formula C11H14F3N5 and a molecular weight of 273.26 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
PubChem CID19625478
Molecular FormulaC11H14F3N5
Molecular Weight273.26 g/mol
Exact Mass273.12
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
SMILESCCn1cc(CNCc2cc(C(F)(F)F)n[nH]2)cn1
InChIInChI=1S/C11H14F3N5/c1-2-19-7-8(5-16-19)4-15-6-9-3-10(18-17-9)11(12,13)14/h3,5,7,15H,2,4,6H2,1H3,(H,17,18)
InChIKeySIQSOYFFAONBIB-UHFFFAOYSA-N
XLogP1.93
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-4-amine
CID 19626471
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
1-(1-ethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]methanamine;hydrochloride
CID 126965103
1-(1-ethylpyrazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82721399
4-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 44821953
4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]phenol
CID 19627439
N-[(1-ethylpyrazol-4-yl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534690
N-[(1-ethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 104665276
N-[(1-ethylpyrazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine
CID 19624946
N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)methanamine
CID 19624929
1-(2,5-difluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126967554
N-[(1-ethylpyrazol-4-yl)methyl]-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methanamine
CID 84591689

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine (CID 19625478) is N-[(1-ethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine is CCn1cc(CNCc2cc(C(F)(F)F)n[nH]2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine?
The InChIKey is SIQSOYFFAONBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5/c1-2-19-7-8(5-16-19)4-15-6-9-3-10(18-17-9)11(12,13)14/h3,5,7,15H,2,4,6H2,1H3,(H,17,18).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine?
N-[(1-ethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine has a molecular weight of 273.26 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine is sourced from PubChem (CID 19625478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).