2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)ethanamine

C13H16FN3 — CID 62126251

IUPAC2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)ethanamine
SMILESCCn1cc(CC(N)c2ccc(F)cc2)cn1
InChIInChI=1S/C13H16FN3/c1-2-17-9-10(8-16-17)7-13(15)11-3-5-12(14)6-4-11/h3-6,8-9,13H,2,7,15H2,1H3
InChIKeyCGZREAFCNSKHTQ-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.28
Rot. Bonds4

About 2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)ethanamine

2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)ethanamine (PubChem CID 62126251) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)ethanamine
PubChem CID62126251
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)ethanamine
SMILESCCn1cc(CC(N)c2ccc(F)cc2)cn1
InChIInChI=1S/C13H16FN3/c1-2-17-9-10(8-16-17)7-13(15)11-3-5-12(14)6-4-11/h3-6,8-9,13H,2,7,15H2,1H3
InChIKeyCGZREAFCNSKHTQ-UHFFFAOYSA-N
XLogP2.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-chloro-2-(4-fluorophenyl)propyl]-1-ethylpyrazole
CID 79437493
2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-N-methylethanamine
CID 55041100
1-(2,6-dimethyl-4-pyridinyl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 107503308
2-(1-ethylpyrazol-4-yl)-1-(3-iodophenyl)ethanamine
CID 115822187
1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115822923
2-(1-ethylpyrazol-4-yl)-1-pyrimidin-2-ylethanamine
CID 62126098
2-(1-ethylpyrazol-4-yl)-1-(furan-2-yl)ethanamine
CID 62716130
(1R)-1,2-bis(4-fluorophenyl)ethanamine
CID 42058912
2-(1-ethylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine
CID 63989978
2-(1-ethylpyrazol-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105115043
2-amino-3-(1-ethylpyrazol-4-yl)propan-1-ol
CID 64571799
2-[(1-ethylpyrazol-4-yl)methyl]butan-1-amine
CID 62505904

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)ethanamine?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)ethanamine (CID 62126251) is 2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)ethanamine is CCn1cc(CC(N)c2ccc(F)cc2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)ethanamine?
The InChIKey is CGZREAFCNSKHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-2-17-9-10(8-16-17)7-13(15)11-3-5-12(14)6-4-11/h3-6,8-9,13H,2,7,15H2,1H3.
What are the key properties of 2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)ethanamine?
2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)ethanamine has a molecular weight of 233.29 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 62126251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).