1-(2-ethylpyrazol-3-yl)-N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine

C17H20FN5 — CID 19627709

IUPAC1-(2-ethylpyrazol-3-yl)-N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine
SMILESCCn1nccc1C(C)NCc1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C17H20FN5/c1-3-23-17(8-9-20-23)12(2)19-11-15-10-16(22-21-15)13-4-6-14(18)7-5-13/h4-10,12,19H,3,11H2,1-2H3,(H,21,22)
InChIKeyFGTOILKHHKQSFH-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.28
Rot. Bonds6

About 1-(2-ethylpyrazol-3-yl)-N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine

1-(2-ethylpyrazol-3-yl)-N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine (PubChem CID 19627709) has the molecular formula C17H20FN5 and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)-N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)-N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine
PubChem CID19627709
Molecular FormulaC17H20FN5
Molecular Weight313.38 g/mol
Exact Mass313.17
IUPAC Name1-(2-ethylpyrazol-3-yl)-N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine
SMILESCCn1nccc1C(C)NCc1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C17H20FN5/c1-3-23-17(8-9-20-23)12(2)19-11-15-10-16(22-21-15)13-4-6-14(18)7-5-13/h4-10,12,19H,3,11H2,1-2H3,(H,21,22)
InChIKeyFGTOILKHHKQSFH-UHFFFAOYSA-N
XLogP3.28
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-ethylpyrazol-3-yl)-N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine with MolForge

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Related Compounds

1-(1-ethyl-3-methylpyrazol-4-yl)-N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 19627712
N-[1-(2-ethylpyrazol-3-yl)ethyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19513124
N-[(2,3-difluorophenyl)methyl]-1-(2-ethylpyrazol-3-yl)ethanamine
CID 19625158
1-(2-ethylpyrazol-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 19625601
1-(2-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 19626652
N-[[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-2-amine
CID 62113166
N-[[3-(4-propylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
CID 62113323
N-[[3-(3-fluorophenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
CID 62111696
N-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
CID 165487946
N-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-1-(2-ethylpyrazol-3-yl)ethanamine
CID 19625166
1-(2-ethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol
CID 63975289
1-(2-ethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 81276228

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)-N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)-N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine (CID 19627709) is 1-(2-ethylpyrazol-3-yl)-N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)-N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)-N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine is CCn1nccc1C(C)NCc1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)-N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine?
The InChIKey is FGTOILKHHKQSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5/c1-3-23-17(8-9-20-23)12(2)19-11-15-10-16(22-21-15)13-4-6-14(18)7-5-13/h4-10,12,19H,3,11H2,1-2H3,(H,21,22).
What are the key properties of 1-(2-ethylpyrazol-3-yl)-N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine?
1-(2-ethylpyrazol-3-yl)-N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine has a molecular weight of 313.38 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)-N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 19627709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).