(1R)-1-(5-fluoro-3-pyridinyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]ethanamine

C18H19FN4 — CID 97229705

IUPAC(1R)-1-(5-fluoro-3-pyridinyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]ethanamine
SMILESC[C@@H](NCCc1ccc(-n2cccn2)cc1)c1cncc(F)c1
InChIInChI=1S/C18H19FN4/c1-14(16-11-17(19)13-20-12-16)21-9-7-15-3-5-18(6-4-15)23-10-2-8-22-23/h2-6,8,10-14,21H,7,9H2,1H3/t14-/m1/s1
InChIKeyMJDNRKLIRWRDHQ-CQSZACIVSA-N
MW310.38 g/mol
LogP3.30
Rot. Bonds6

About (1R)-1-(5-fluoro-3-pyridinyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]ethanamine

(1R)-1-(5-fluoro-3-pyridinyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]ethanamine (PubChem CID 97229705) has the molecular formula C18H19FN4 and a molecular weight of 310.38 g/mol. Its IUPAC name is (1R)-1-(5-fluoro-3-pyridinyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(5-fluoro-3-pyridinyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]ethanamine
PubChem CID97229705
Molecular FormulaC18H19FN4
Molecular Weight310.38 g/mol
Exact Mass310.16
IUPAC Name(1R)-1-(5-fluoro-3-pyridinyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]ethanamine
SMILESC[C@@H](NCCc1ccc(-n2cccn2)cc1)c1cncc(F)c1
InChIInChI=1S/C18H19FN4/c1-14(16-11-17(19)13-20-12-16)21-9-7-15-3-5-18(6-4-15)23-10-2-8-22-23/h2-6,8,10-14,21H,7,9H2,1H3/t14-/m1/s1
InChIKeyMJDNRKLIRWRDHQ-CQSZACIVSA-N
XLogP3.30
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-3-pyridinyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 103775385
1-(5-fluoro-3-pyridinyl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 75502451
3-fluoro-5-pyrazol-1-ylpyridine
CID 68804275
N-[2-(2,2-difluoroethoxy)ethyl]-1-(5-fluoro-3-pyridinyl)ethanamine
CID 102978048
3-fluoro-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]propan-1-amine
CID 99776687
N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 115721383
N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-4-imidazol-1-ylaniline
CID 97337942
1-[2-(3-fluorophenyl)ethyl]-2-methyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide
CID 111395578
2,6-difluoro-N-[3-methyl-1-oxo-1-[2-(4-pyrazol-1-ylphenyl)ethylamino]butan-2-yl]benzamide
CID 85487474
N-[1-(3-pyrazol-1-ylphenyl)ethyl]propan-1-amine
CID 79170432
2-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]phenol
CID 103780351
N-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 43096156

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-fluoro-3-pyridinyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]ethanamine?
The IUPAC name of (1R)-1-(5-fluoro-3-pyridinyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]ethanamine (CID 97229705) is (1R)-1-(5-fluoro-3-pyridinyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-(5-fluoro-3-pyridinyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]ethanamine?
The canonical SMILES for (1R)-1-(5-fluoro-3-pyridinyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]ethanamine is C[C@@H](NCCc1ccc(-n2cccn2)cc1)c1cncc(F)c1.
What is the InChIKey of (1R)-1-(5-fluoro-3-pyridinyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]ethanamine?
The InChIKey is MJDNRKLIRWRDHQ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19FN4/c1-14(16-11-17(19)13-20-12-16)21-9-7-15-3-5-18(6-4-15)23-10-2-8-22-23/h2-6,8,10-14,21H,7,9H2,1H3/t14-/m1/s1.
What are the key properties of (1R)-1-(5-fluoro-3-pyridinyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]ethanamine?
(1R)-1-(5-fluoro-3-pyridinyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]ethanamine has a molecular weight of 310.38 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-fluoro-3-pyridinyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]ethanamine is sourced from PubChem (CID 97229705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).