1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-fluorophenyl)methyl]ethanamine

C15H20FN3 — CID 19625235

IUPAC1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-fluorophenyl)methyl]ethanamine
SMILESCCn1cc(C(C)NCc2ccccc2F)c(C)n1
InChIInChI=1S/C15H20FN3/c1-4-19-10-14(12(3)18-19)11(2)17-9-13-7-5-6-8-15(13)16/h5-8,10-11,17H,4,9H2,1-3H3
InChIKeyZJDMFABFHKEERL-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.20
Rot. Bonds5

About 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-fluorophenyl)methyl]ethanamine

1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-fluorophenyl)methyl]ethanamine (PubChem CID 19625235) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-fluorophenyl)methyl]ethanamine
PubChem CID19625235
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-fluorophenyl)methyl]ethanamine
SMILESCCn1cc(C(C)NCc2ccccc2F)c(C)n1
InChIInChI=1S/C15H20FN3/c1-4-19-10-14(12(3)18-19)11(2)17-9-13-7-5-6-8-15(13)16/h5-8,10-11,17H,4,9H2,1-3H3
InChIKeyZJDMFABFHKEERL-UHFFFAOYSA-N
XLogP3.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]methyl]phenol
CID 19627467
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 19625239
N-benzyl-1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine
CID 19625231
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-3-yl)methyl]ethanamine
CID 19625650
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]ethanamine
CID 19625559
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 19626689
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 19625661
1-(1-ethyl-3-methylpyrazol-4-yl)-N-methylethanamine
CID 23005800
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 19625240
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 19627712
N-[(2-chlorophenyl)methyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 63378794
1-(1,3-dimethylpyrazol-4-yl)-N-[(2-nitrophenyl)methyl]ethanamine
CID 65196934

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-fluorophenyl)methyl]ethanamine?
The IUPAC name of 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-fluorophenyl)methyl]ethanamine (CID 19625235) is 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-fluorophenyl)methyl]ethanamine?
The canonical SMILES for 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-fluorophenyl)methyl]ethanamine is CCn1cc(C(C)NCc2ccccc2F)c(C)n1.
What is the InChIKey of 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-fluorophenyl)methyl]ethanamine?
The InChIKey is ZJDMFABFHKEERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-4-19-10-14(12(3)18-19)11(2)17-9-13-7-5-6-8-15(13)16/h5-8,10-11,17H,4,9H2,1-3H3.
What are the key properties of 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-fluorophenyl)methyl]ethanamine?
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-fluorophenyl)methyl]ethanamine has a molecular weight of 261.34 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 19625235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).