4-(5-fluoro-2-methoxy-4-nitrosophenyl)-1H-pyrazole

C10H8FN3O2 — CID 88937057

IUPAC4-(5-fluoro-2-methoxy-4-nitrosophenyl)-1H-pyrazole
SMILESCOc1cc(N=O)c(F)cc1-c1cn[nH]c1
InChIInChI=1S/C10H8FN3O2/c1-16-10-3-9(14-15)8(11)2-7(10)6-4-12-13-5-6/h2-5H,1H3,(H,12,13)
InChIKeyUPDYJNITNGHKJK-UHFFFAOYSA-N
MW221.19 g/mol
LogP2.62
Rot. Bonds3

About 4-(5-fluoro-2-methoxy-4-nitrosophenyl)-1H-pyrazole

4-(5-fluoro-2-methoxy-4-nitrosophenyl)-1H-pyrazole (PubChem CID 88937057) has the molecular formula C10H8FN3O2 and a molecular weight of 221.19 g/mol. Its IUPAC name is 4-(5-fluoro-2-methoxy-4-nitrosophenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(5-fluoro-2-methoxy-4-nitrosophenyl)-1H-pyrazole
PubChem CID88937057
Molecular FormulaC10H8FN3O2
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC Name4-(5-fluoro-2-methoxy-4-nitrosophenyl)-1H-pyrazole
SMILESCOc1cc(N=O)c(F)cc1-c1cn[nH]c1
InChIInChI=1S/C10H8FN3O2/c1-16-10-3-9(14-15)8(11)2-7(10)6-4-12-13-5-6/h2-5H,1H3,(H,12,13)
InChIKeyUPDYJNITNGHKJK-UHFFFAOYSA-N
XLogP2.62
TPSA67.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-Methoxyphenyl)-1H-pyrazole
CID 2736764
5-(3-fluoro-4-methoxyphenyl)-4-methyl-1H-pyrazole
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CID 135065267
4-(5-fluoro-2-methoxy-4-nitrophenyl)-1H-pyrazole
CID 58310664
2-fluoro-5-methoxy-4-(1H-pyrazol-4-yl)aniline
CID 58310916
5-(2-ethoxy-4-fluorophenyl)-1H-pyrazole
CID 58898710
5-(4-fluoro-2-methoxyphenyl)-1H-pyrazole
CID 70662650
5-(2-fluoro-6-methoxyphenyl)-1H-pyrazole
CID 83808325
4-tert-butyl-5-(5-fluoro-2-methoxyphenyl)-1H-pyrazole
CID 89747076
4-methyl-5-[2-(trifluoromethoxy)phenyl]-1H-pyrazole
CID 89749969
5-(5-fluoro-2-methoxyphenyl)-4-methyl-1H-pyrazole
CID 89750056
4-fluoro-3-methoxy-N-methyl-5-(1H-pyrazol-4-ylmethyl)aniline
CID 91209344

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methoxy-4-nitrosophenyl)-1H-pyrazole?
The IUPAC name of 4-(5-fluoro-2-methoxy-4-nitrosophenyl)-1H-pyrazole (CID 88937057) is 4-(5-fluoro-2-methoxy-4-nitrosophenyl)-1H-pyrazole.
What is the SMILES notation for 4-(5-fluoro-2-methoxy-4-nitrosophenyl)-1H-pyrazole?
The canonical SMILES for 4-(5-fluoro-2-methoxy-4-nitrosophenyl)-1H-pyrazole is COc1cc(N=O)c(F)cc1-c1cn[nH]c1.
What is the InChIKey of 4-(5-fluoro-2-methoxy-4-nitrosophenyl)-1H-pyrazole?
The InChIKey is UPDYJNITNGHKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2/c1-16-10-3-9(14-15)8(11)2-7(10)6-4-12-13-5-6/h2-5H,1H3,(H,12,13).
What are the key properties of 4-(5-fluoro-2-methoxy-4-nitrosophenyl)-1H-pyrazole?
4-(5-fluoro-2-methoxy-4-nitrosophenyl)-1H-pyrazole has a molecular weight of 221.19 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methoxy-4-nitrosophenyl)-1H-pyrazole is sourced from PubChem (CID 88937057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).