1-(3-fluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine

C13H16FN3 — CID 54881269

IUPAC1-(3-fluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
SMILESCC(NC(C)c1ccn[nH]1)c1cccc(F)c1
InChIInChI=1S/C13H16FN3/c1-9(11-4-3-5-12(14)8-11)16-10(2)13-6-7-15-17-13/h3-10,16H,1-2H3,(H,15,17)
InChIKeyFDNQUQOQMDHGQP-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.96
Rot. Bonds4

About 1-(3-fluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine

1-(3-fluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine (PubChem CID 54881269) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
PubChem CID54881269
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name1-(3-fluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
SMILESCC(NC(C)c1ccn[nH]1)c1cccc(F)c1
InChIInChI=1S/C13H16FN3/c1-9(11-4-3-5-12(14)8-11)16-10(2)13-6-7-15-17-13/h3-10,16H,1-2H3,(H,15,17)
InChIKeyFDNQUQOQMDHGQP-UHFFFAOYSA-N
XLogP2.96
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-bromophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81371761
(1S)-1-(3-chlorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81366906
1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
CID 81364880
(1R)-N-[1-(3-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81405407
N-[1-(2,5-difluorophenyl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 54881271
(1R)-1-(4-methylphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81349237
ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine
CID 170709234
(1R)-N-[1-(3,4-dichlorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81369376
(1R)-1-(4-bromophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81355261
1-(3-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
CID 81402285
(1R)-1-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 81367216
(1R)-N-[1-(3,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81368634

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine (CID 54881269) is 1-(3-fluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine is CC(NC(C)c1ccn[nH]1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine?
The InChIKey is FDNQUQOQMDHGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-9(11-4-3-5-12(14)8-11)16-10(2)13-6-7-15-17-13/h3-10,16H,1-2H3,(H,15,17).
What are the key properties of 1-(3-fluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine?
1-(3-fluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine has a molecular weight of 233.29 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 54881269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).