4-fluoro-2-[2-(oxan-2-yl)pyrazol-3-yl]aniline

C14H16FN3O — CID 126607358

IUPAC4-fluoro-2-[2-(oxan-2-yl)pyrazol-3-yl]aniline
SMILESNc1ccc(F)cc1-c1ccnn1C1CCCCO1
InChIInChI=1S/C14H16FN3O/c15-10-4-5-12(16)11(9-10)13-6-7-17-18(13)14-3-1-2-8-19-14/h4-7,9,14H,1-3,8,16H2
InChIKeyQSELAKBNWPHGHV-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.97
Rot. Bonds2

About 4-fluoro-2-[2-(oxan-2-yl)pyrazol-3-yl]aniline

4-fluoro-2-[2-(oxan-2-yl)pyrazol-3-yl]aniline (PubChem CID 126607358) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-fluoro-2-[2-(oxan-2-yl)pyrazol-3-yl]aniline.

Molecular Properties

Compound Name4-fluoro-2-[2-(oxan-2-yl)pyrazol-3-yl]aniline
PubChem CID126607358
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name4-fluoro-2-[2-(oxan-2-yl)pyrazol-3-yl]aniline
SMILESNc1ccc(F)cc1-c1ccnn1C1CCCCO1
InChIInChI=1S/C14H16FN3O/c15-10-4-5-12(16)11(9-10)13-6-7-17-18(13)14-3-1-2-8-19-14/h4-7,9,14H,1-3,8,16H2
InChIKeyQSELAKBNWPHGHV-UHFFFAOYSA-N
XLogP2.97
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[2-(oxan-2-yl)pyrazol-3-yl]aniline
CID 170984356
2-methoxy-5-[2-(oxan-2-yl)pyrazol-3-yl]aniline
CID 154925986
5-(2-ethynylphenyl)-1-(oxan-2-yl)pyrazole
CID 170984358
4-[2-(oxan-2-yl)pyrazol-3-yl]phenol
CID 162677649
CID 88950303
CID 88950303
4-fluoro-2-[1-[2-(oxan-2-yl)ethyl]tetrazol-5-yl]aniline
CID 106003099
5-[2-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxamide
CID 131731838
4-[2-(oxan-2-yl)pyrazol-3-yl]benzene-1,2-dicarbonitrile
CID 67172757
2-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]phenol
CID 162677650
6-bromo-5-fluoro-1-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,5-a]pyridine
CID 164594560
2-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]benzaldehyde
CID 170984370
4-[1-(oxan-2-yl)pyrazol-3-yl]-7-[2-(oxan-2-yl)pyrazol-3-yl]-1,5-naphthyridin-2-amine
CID 154649454

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[2-(oxan-2-yl)pyrazol-3-yl]aniline?
The IUPAC name of 4-fluoro-2-[2-(oxan-2-yl)pyrazol-3-yl]aniline (CID 126607358) is 4-fluoro-2-[2-(oxan-2-yl)pyrazol-3-yl]aniline.
What is the SMILES notation for 4-fluoro-2-[2-(oxan-2-yl)pyrazol-3-yl]aniline?
The canonical SMILES for 4-fluoro-2-[2-(oxan-2-yl)pyrazol-3-yl]aniline is Nc1ccc(F)cc1-c1ccnn1C1CCCCO1.
What is the InChIKey of 4-fluoro-2-[2-(oxan-2-yl)pyrazol-3-yl]aniline?
The InChIKey is QSELAKBNWPHGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-10-4-5-12(16)11(9-10)13-6-7-17-18(13)14-3-1-2-8-19-14/h4-7,9,14H,1-3,8,16H2.
What are the key properties of 4-fluoro-2-[2-(oxan-2-yl)pyrazol-3-yl]aniline?
4-fluoro-2-[2-(oxan-2-yl)pyrazol-3-yl]aniline has a molecular weight of 261.30 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[2-(oxan-2-yl)pyrazol-3-yl]aniline is sourced from PubChem (CID 126607358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).