2-(3-cyclopropylpyrazol-1-yl)-4-ethoxy-5-fluoroaniline

C14H16FN3O — CID 63593952

IUPAC2-(3-cyclopropylpyrazol-1-yl)-4-ethoxy-5-fluoroaniline
SMILESCCOc1cc(-n2ccc(C3CC3)n2)c(N)cc1F
InChIInChI=1S/C14H16FN3O/c1-2-19-14-8-13(11(16)7-10(14)15)18-6-5-12(17-18)9-3-4-9/h5-9H,2-4,16H2,1H3
InChIKeyCIEODUDZNRVNLN-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.87
Rot. Bonds4

About 2-(3-cyclopropylpyrazol-1-yl)-4-ethoxy-5-fluoroaniline

2-(3-cyclopropylpyrazol-1-yl)-4-ethoxy-5-fluoroaniline (PubChem CID 63593952) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-(3-cyclopropylpyrazol-1-yl)-4-ethoxy-5-fluoroaniline.

Molecular Properties

Compound Name2-(3-cyclopropylpyrazol-1-yl)-4-ethoxy-5-fluoroaniline
PubChem CID63593952
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name2-(3-cyclopropylpyrazol-1-yl)-4-ethoxy-5-fluoroaniline
SMILESCCOc1cc(-n2ccc(C3CC3)n2)c(N)cc1F
InChIInChI=1S/C14H16FN3O/c1-2-19-14-8-13(11(16)7-10(14)15)18-6-5-12(17-18)9-3-4-9/h5-9H,2-4,16H2,1H3
InChIKeyCIEODUDZNRVNLN-UHFFFAOYSA-N
XLogP2.87
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-cyclopropylpyrazol-1-yl)-4-ethoxy-5-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11559538, Example 200
CID 150291103
3-methoxy-5-(1H-pyrazol-1-yl)aniline
CID 80749408
3-[(2-Fluorophenoxy)methyl]-1-[(2-methylpyrazol-3-yl)methyl]piperidine
CID 46981141
3-fluoro-4-((1-methyl-1H-pyrazol-4-yl)methoxy)aniline
CID 19627211
4-((1,5-Dimethyl-1H-pyrazol-4-yl)methoxy)aniline
CID 19626857
4-((1-Ethyl-3-methyl-1H-pyrazol-4-yl)methoxy)aniline
CID 19626859
4-((1,5-Dimethyl-1H-pyrazol-4-yl)methoxy)-3-fluoroaniline
CID 19627213
1-(4-Ethoxy-2,6-difluorophenyl)-5-propylpyrazol-4-amine
CID 46928291
3-fluoro-4-(2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yloxy)aniline
CID 59322769
2-fluoro-4-(2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yloxy)benzenamine
CID 59458319
(2S)-1-{4-[6-(cyclopropylmethoxy)-2H-indazol-2-yl]-3-fluorophenoxy}propan-2-amine
CID 67778466
2-fluoro-4-(2-(1-propyl-1H-pyrazol-4-yl)pyridin-4-yloxy)benzenamine
CID 68489139

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylpyrazol-1-yl)-4-ethoxy-5-fluoroaniline?
The IUPAC name of 2-(3-cyclopropylpyrazol-1-yl)-4-ethoxy-5-fluoroaniline (CID 63593952) is 2-(3-cyclopropylpyrazol-1-yl)-4-ethoxy-5-fluoroaniline.
What is the SMILES notation for 2-(3-cyclopropylpyrazol-1-yl)-4-ethoxy-5-fluoroaniline?
The canonical SMILES for 2-(3-cyclopropylpyrazol-1-yl)-4-ethoxy-5-fluoroaniline is CCOc1cc(-n2ccc(C3CC3)n2)c(N)cc1F.
What is the InChIKey of 2-(3-cyclopropylpyrazol-1-yl)-4-ethoxy-5-fluoroaniline?
The InChIKey is CIEODUDZNRVNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-2-19-14-8-13(11(16)7-10(14)15)18-6-5-12(17-18)9-3-4-9/h5-9H,2-4,16H2,1H3.
What are the key properties of 2-(3-cyclopropylpyrazol-1-yl)-4-ethoxy-5-fluoroaniline?
2-(3-cyclopropylpyrazol-1-yl)-4-ethoxy-5-fluoroaniline has a molecular weight of 261.30 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylpyrazol-1-yl)-4-ethoxy-5-fluoroaniline is sourced from PubChem (CID 63593952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).