N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine

C12H15F4N5 — CID 122169190

IUPACN-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine
SMILESCCn1ncc(CNCc2ccn(CC(F)(F)F)n2)c1F
InChIInChI=1S/C12H15F4N5/c1-2-21-11(13)9(6-18-21)5-17-7-10-3-4-20(19-10)8-12(14,15)16/h3-4,6,17H,2,5,7-8H2,1H3
InChIKeyJGUKERONGYIQAR-UHFFFAOYSA-N
MW305.28 g/mol
LogP2.09
Rot. Bonds6

About N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine

N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine (PubChem CID 122169190) has the molecular formula C12H15F4N5 and a molecular weight of 305.28 g/mol. Its IUPAC name is N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound NameN-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine
PubChem CID122169190
Molecular FormulaC12H15F4N5
Molecular Weight305.28 g/mol
Exact Mass305.13
IUPAC NameN-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine
SMILESCCn1ncc(CNCc2ccn(CC(F)(F)F)n2)c1F
InChIInChI=1S/C12H15F4N5/c1-2-21-11(13)9(6-18-21)5-17-7-10-3-4-20(19-10)8-12(14,15)16/h3-4,6,17H,2,5,7-8H2,1H3
InChIKeyJGUKERONGYIQAR-UHFFFAOYSA-N
XLogP2.09
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine
CID 122169186
N-[(3,5-difluorophenyl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine
CID 122168020
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine
CID 122169172
N-methyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine;hydrochloride
CID 132770062
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine
CID 122169168
N-[(2-propan-2-ylpyrazol-3-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine
CID 122167059
1-(1,5-dimethylpyrazol-4-yl)-N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]methanamine
CID 122169167
3-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]butan-1-amine;hydrochloride
CID 126964213
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(3-methyl-1-propylpyrazol-4-yl)methanamine;hydrochloride
CID 126967612
N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine;hydrochloride
CID 171156647
N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride
CID 126967207
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-2-phenylethanamine
CID 122165910

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine?
The IUPAC name of N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine (CID 122169190) is N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine.
What is the SMILES notation for N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine?
The canonical SMILES for N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine is CCn1ncc(CNCc2ccn(CC(F)(F)F)n2)c1F.
What is the InChIKey of N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine?
The InChIKey is JGUKERONGYIQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4N5/c1-2-21-11(13)9(6-18-21)5-17-7-10-3-4-20(19-10)8-12(14,15)16/h3-4,6,17H,2,5,7-8H2,1H3.
What are the key properties of N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine?
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine has a molecular weight of 305.28 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 122169190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).