4-[[6-(2,5-dimethylpyrazol-3-yl)-1H-indazol-5-yl]oxy]-3-fluoroaniline

C18H16FN5O — CID 66767156

IUPAC4-[[6-(2,5-dimethylpyrazol-3-yl)-1H-indazol-5-yl]oxy]-3-fluoroaniline
SMILESCc1cc(-c2cc3[nH]ncc3cc2Oc2ccc(N)cc2F)n(C)n1
InChIInChI=1S/C18H16FN5O/c1-10-5-16(24(2)23-10)13-8-15-11(9-21-22-15)6-18(13)25-17-4-3-12(20)7-14(17)19/h3-9H,20H2,1-2H3,(H,21,22)
InChIKeySCYDNBIYENGVRL-UHFFFAOYSA-N
MW337.36 g/mol
LogP3.79
Rot. Bonds3

About 4-[[6-(2,5-dimethylpyrazol-3-yl)-1H-indazol-5-yl]oxy]-3-fluoroaniline

4-[[6-(2,5-dimethylpyrazol-3-yl)-1H-indazol-5-yl]oxy]-3-fluoroaniline (PubChem CID 66767156) has the molecular formula C18H16FN5O and a molecular weight of 337.36 g/mol. Its IUPAC name is 4-[[6-(2,5-dimethylpyrazol-3-yl)-1H-indazol-5-yl]oxy]-3-fluoroaniline.

Molecular Properties

Compound Name4-[[6-(2,5-dimethylpyrazol-3-yl)-1H-indazol-5-yl]oxy]-3-fluoroaniline
PubChem CID66767156
Molecular FormulaC18H16FN5O
Molecular Weight337.36 g/mol
Exact Mass337.13
IUPAC Name4-[[6-(2,5-dimethylpyrazol-3-yl)-1H-indazol-5-yl]oxy]-3-fluoroaniline
SMILESCc1cc(-c2cc3[nH]ncc3cc2Oc2ccc(N)cc2F)n(C)n1
InChIInChI=1S/C18H16FN5O/c1-10-5-16(24(2)23-10)13-8-15-11(9-21-22-15)6-18(13)25-17-4-3-12(20)7-14(17)19/h3-9H,20H2,1-2H3,(H,21,22)
InChIKeySCYDNBIYENGVRL-UHFFFAOYSA-N
XLogP3.79
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(2,5-dimethylpyrazol-3-yl)-1H-indazol-5-yl]oxy]-3-fluoroaniline?
The IUPAC name of 4-[[6-(2,5-dimethylpyrazol-3-yl)-1H-indazol-5-yl]oxy]-3-fluoroaniline (CID 66767156) is 4-[[6-(2,5-dimethylpyrazol-3-yl)-1H-indazol-5-yl]oxy]-3-fluoroaniline.
What is the SMILES notation for 4-[[6-(2,5-dimethylpyrazol-3-yl)-1H-indazol-5-yl]oxy]-3-fluoroaniline?
The canonical SMILES for 4-[[6-(2,5-dimethylpyrazol-3-yl)-1H-indazol-5-yl]oxy]-3-fluoroaniline is Cc1cc(-c2cc3[nH]ncc3cc2Oc2ccc(N)cc2F)n(C)n1.
What is the InChIKey of 4-[[6-(2,5-dimethylpyrazol-3-yl)-1H-indazol-5-yl]oxy]-3-fluoroaniline?
The InChIKey is SCYDNBIYENGVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O/c1-10-5-16(24(2)23-10)13-8-15-11(9-21-22-15)6-18(13)25-17-4-3-12(20)7-14(17)19/h3-9H,20H2,1-2H3,(H,21,22).
What are the key properties of 4-[[6-(2,5-dimethylpyrazol-3-yl)-1H-indazol-5-yl]oxy]-3-fluoroaniline?
4-[[6-(2,5-dimethylpyrazol-3-yl)-1H-indazol-5-yl]oxy]-3-fluoroaniline has a molecular weight of 337.36 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(2,5-dimethylpyrazol-3-yl)-1H-indazol-5-yl]oxy]-3-fluoroaniline is sourced from PubChem (CID 66767156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).