[3-fluoro-5-[1-(oxolan-3-yl)pyrazol-4-yl]phenyl]methanamine

C14H16FN3O — CID 170765583

IUPAC[3-fluoro-5-[1-(oxolan-3-yl)pyrazol-4-yl]phenyl]methanamine
SMILESNCc1cc(F)cc(-c2cnn(C3CCOC3)c2)c1
InChIInChI=1S/C14H16FN3O/c15-13-4-10(6-16)3-11(5-13)12-7-17-18(8-12)14-1-2-19-9-14/h3-5,7-8,14H,1-2,6,9,16H2
InChIKeyQUOFUUUCUKQZIO-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.11
Rot. Bonds3

About [3-fluoro-5-[1-(oxolan-3-yl)pyrazol-4-yl]phenyl]methanamine

[3-fluoro-5-[1-(oxolan-3-yl)pyrazol-4-yl]phenyl]methanamine (PubChem CID 170765583) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is [3-fluoro-5-[1-(oxolan-3-yl)pyrazol-4-yl]phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-5-[1-(oxolan-3-yl)pyrazol-4-yl]phenyl]methanamine
PubChem CID170765583
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name[3-fluoro-5-[1-(oxolan-3-yl)pyrazol-4-yl]phenyl]methanamine
SMILESNCc1cc(F)cc(-c2cnn(C3CCOC3)c2)c1
InChIInChI=1S/C14H16FN3O/c15-13-4-10(6-16)3-11(5-13)12-7-17-18(8-12)14-1-2-19-9-14/h3-5,7-8,14H,1-2,6,9,16H2
InChIKeyQUOFUUUCUKQZIO-UHFFFAOYSA-N
XLogP2.11
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-(2-methoxyethyl)propan-2-amine
CID 16190067
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyltetrahydrofuran-3-amine
CID 16189951
(4-fluorobenzyl)[(1-isopropyl-1H-pyrazol-4-yl)methyl](tetrahydrofuran-2-ylmethyl)amine
CID 46998990
N-{[3-(4-cyclohexylphenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyltetrahydro-3-furanamine
CID 45241479
2-(4-(3,5-difluorophenyl)-1H-pyrazol-1-yl)ethan-1-ol
CID 3620986
2-[4-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrazol-1-yl]ethanol
CID 126449869
(3S)-2,2-dimethyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]oxolan-3-amine
CID 164630430
(2-fluoro-5-(1-methyl-1H-pyrazol-4-yl)phenyl)methanamine
CID 61033788
4-(4-Fluorophenyl)-1-(2-methoxyethyl)-3-methylpyrazole
CID 68365567
1-[4-Fluoro-3-(1-methylpyrazol-4-yl)phenyl]ethanamine
CID 70981434
4-(2-Fluoro-4,5-dimethylphenyl)-1-(3-methoxy-4-methylpent-3-en-2-yl)pyrazole
CID 70995991
N'-[[3-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 86303376

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-[1-(oxolan-3-yl)pyrazol-4-yl]phenyl]methanamine?
The IUPAC name of [3-fluoro-5-[1-(oxolan-3-yl)pyrazol-4-yl]phenyl]methanamine (CID 170765583) is [3-fluoro-5-[1-(oxolan-3-yl)pyrazol-4-yl]phenyl]methanamine.
What is the SMILES notation for [3-fluoro-5-[1-(oxolan-3-yl)pyrazol-4-yl]phenyl]methanamine?
The canonical SMILES for [3-fluoro-5-[1-(oxolan-3-yl)pyrazol-4-yl]phenyl]methanamine is NCc1cc(F)cc(-c2cnn(C3CCOC3)c2)c1.
What is the InChIKey of [3-fluoro-5-[1-(oxolan-3-yl)pyrazol-4-yl]phenyl]methanamine?
The InChIKey is QUOFUUUCUKQZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-13-4-10(6-16)3-11(5-13)12-7-17-18(8-12)14-1-2-19-9-14/h3-5,7-8,14H,1-2,6,9,16H2.
What are the key properties of [3-fluoro-5-[1-(oxolan-3-yl)pyrazol-4-yl]phenyl]methanamine?
[3-fluoro-5-[1-(oxolan-3-yl)pyrazol-4-yl]phenyl]methanamine has a molecular weight of 261.30 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-[1-(oxolan-3-yl)pyrazol-4-yl]phenyl]methanamine is sourced from PubChem (CID 170765583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).