(5-amino-1H-pyrazol-4-yl)-(5-fluoro-2-methoxyphenyl)methanone

C11H10FN3O2 — CID 82770548

IUPAC(5-amino-1H-pyrazol-4-yl)-(5-fluoro-2-methoxyphenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)c1cn[nH]c1N
InChIInChI=1S/C11H10FN3O2/c1-17-9-3-2-6(12)4-7(9)10(16)8-5-14-15-11(8)13/h2-5H,1H3,(H3,13,14,15)
InChIKeyBMBREDMRSZBWDG-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.37
Rot. Bonds3

About (5-amino-1H-pyrazol-4-yl)-(5-fluoro-2-methoxyphenyl)methanone

(5-amino-1H-pyrazol-4-yl)-(5-fluoro-2-methoxyphenyl)methanone (PubChem CID 82770548) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is (5-amino-1H-pyrazol-4-yl)-(5-fluoro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-amino-1H-pyrazol-4-yl)-(5-fluoro-2-methoxyphenyl)methanone
PubChem CID82770548
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name(5-amino-1H-pyrazol-4-yl)-(5-fluoro-2-methoxyphenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)c1cn[nH]c1N
InChIInChI=1S/C11H10FN3O2/c1-17-9-3-2-6(12)4-7(9)10(16)8-5-14-15-11(8)13/h2-5H,1H3,(H3,13,14,15)
InChIKeyBMBREDMRSZBWDG-UHFFFAOYSA-N
XLogP1.37
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-amino-1H-pyrazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 14674009
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633
(2-amino-6-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 81413910
(2-bromo-4-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339651
(3-chloro-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 105125231
4-(4-fluoro-2-methoxyphenyl)-1H-pyrazol-5-amine
CID 117295551
(2,5-difluorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 62504204
(5-fluoro-2-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 56980668
(2,4-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339638
(4-amino-2-ethylsulfanylpyrimidin-5-yl)-(5-fluoro-2-methoxyphenyl)methanone
CID 11722738
2-bromo-2,2-difluoro-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 131390571
(5-fluoro-2-methoxyphenyl)-(4-hydroxyphenyl)methanone
CID 82086032

Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-pyrazol-4-yl)-(5-fluoro-2-methoxyphenyl)methanone?
The IUPAC name of (5-amino-1H-pyrazol-4-yl)-(5-fluoro-2-methoxyphenyl)methanone (CID 82770548) is (5-amino-1H-pyrazol-4-yl)-(5-fluoro-2-methoxyphenyl)methanone.
What is the SMILES notation for (5-amino-1H-pyrazol-4-yl)-(5-fluoro-2-methoxyphenyl)methanone?
The canonical SMILES for (5-amino-1H-pyrazol-4-yl)-(5-fluoro-2-methoxyphenyl)methanone is COc1ccc(F)cc1C(=O)c1cn[nH]c1N.
What is the InChIKey of (5-amino-1H-pyrazol-4-yl)-(5-fluoro-2-methoxyphenyl)methanone?
The InChIKey is BMBREDMRSZBWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-17-9-3-2-6(12)4-7(9)10(16)8-5-14-15-11(8)13/h2-5H,1H3,(H3,13,14,15).
What are the key properties of (5-amino-1H-pyrazol-4-yl)-(5-fluoro-2-methoxyphenyl)methanone?
(5-amino-1H-pyrazol-4-yl)-(5-fluoro-2-methoxyphenyl)methanone has a molecular weight of 235.22 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-pyrazol-4-yl)-(5-fluoro-2-methoxyphenyl)methanone is sourced from PubChem (CID 82770548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).