2-fluoro-5-methoxy-4-(1H-pyrazol-4-yl)aniline

C10H10FN3O — CID 58310916

IUPAC2-fluoro-5-methoxy-4-(1H-pyrazol-4-yl)aniline
SMILESCOc1cc(N)c(F)cc1-c1cn[nH]c1
InChIInChI=1S/C10H10FN3O/c1-15-10-3-9(12)8(11)2-7(10)6-4-13-14-5-6/h2-5H,12H2,1H3,(H,13,14)
InChIKeyWKAULMUESQYTHN-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.81
Rot. Bonds2

About 2-fluoro-5-methoxy-4-(1H-pyrazol-4-yl)aniline

2-fluoro-5-methoxy-4-(1H-pyrazol-4-yl)aniline (PubChem CID 58310916) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is 2-fluoro-5-methoxy-4-(1H-pyrazol-4-yl)aniline.

Molecular Properties

Compound Name2-fluoro-5-methoxy-4-(1H-pyrazol-4-yl)aniline
PubChem CID58310916
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name2-fluoro-5-methoxy-4-(1H-pyrazol-4-yl)aniline
SMILESCOc1cc(N)c(F)cc1-c1cn[nH]c1
InChIInChI=1S/C10H10FN3O/c1-15-10-3-9(12)8(11)2-7(10)6-4-13-14-5-6/h2-5H,12H2,1H3,(H,13,14)
InChIKeyWKAULMUESQYTHN-UHFFFAOYSA-N
XLogP1.81
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methoxyphenyl)-3-methyl-1H-pyrazole
CID 2805464
4-Methoxy-1H-indazole
CID 24729333
3-(4-Methoxyphenyl)-1H-Pyrazole
CID 599984
3-(3-Methoxyphenyl)-1H-Pyrazole
CID 2736766
(E)-3-fluoro-2-[[4-(4-methyl-1H-pyrazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512238
(Z)-3-fluoro-2-[[4-(4-methyl-1H-pyrazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
CID 162369033
3-(2-Methoxyphenyl)-1H-pyrazole
CID 2736764
6-methoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645465
US10562887, Example 180
CID 138620909
US10562887, Example 183
CID 138620950
1-[3-(4-Methoxyphenyl)-1H-pyrazol-4-yl]methanamine
CID 16767326
3-(2,5-Dimethoxyphenyl)-1H-Pyrazole
CID 18801454

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methoxy-4-(1H-pyrazol-4-yl)aniline?
The IUPAC name of 2-fluoro-5-methoxy-4-(1H-pyrazol-4-yl)aniline (CID 58310916) is 2-fluoro-5-methoxy-4-(1H-pyrazol-4-yl)aniline.
What is the SMILES notation for 2-fluoro-5-methoxy-4-(1H-pyrazol-4-yl)aniline?
The canonical SMILES for 2-fluoro-5-methoxy-4-(1H-pyrazol-4-yl)aniline is COc1cc(N)c(F)cc1-c1cn[nH]c1.
What is the InChIKey of 2-fluoro-5-methoxy-4-(1H-pyrazol-4-yl)aniline?
The InChIKey is WKAULMUESQYTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c1-15-10-3-9(12)8(11)2-7(10)6-4-13-14-5-6/h2-5H,12H2,1H3,(H,13,14).
What are the key properties of 2-fluoro-5-methoxy-4-(1H-pyrazol-4-yl)aniline?
2-fluoro-5-methoxy-4-(1H-pyrazol-4-yl)aniline has a molecular weight of 207.21 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methoxy-4-(1H-pyrazol-4-yl)aniline is sourced from PubChem (CID 58310916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).