(2-amino-3-fluorophenyl)-(1-methylpyrazol-3-yl)methanone

C11H10FN3O — CID 103133443

IUPAC(2-amino-3-fluorophenyl)-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)c2cccc(F)c2N)n1
InChIInChI=1S/C11H10FN3O/c1-15-6-5-9(14-15)11(16)7-3-2-4-8(12)10(7)13/h2-6H,13H2,1H3
InChIKeyFXTFJIJSAIIVRF-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.37
Rot. Bonds2

About (2-amino-3-fluorophenyl)-(1-methylpyrazol-3-yl)methanone

(2-amino-3-fluorophenyl)-(1-methylpyrazol-3-yl)methanone (PubChem CID 103133443) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is (2-amino-3-fluorophenyl)-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(2-amino-3-fluorophenyl)-(1-methylpyrazol-3-yl)methanone
PubChem CID103133443
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name(2-amino-3-fluorophenyl)-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)c2cccc(F)c2N)n1
InChIInChI=1S/C11H10FN3O/c1-15-6-5-9(14-15)11(16)7-3-2-4-8(12)10(7)13/h2-6H,13H2,1H3
InChIKeyFXTFJIJSAIIVRF-UHFFFAOYSA-N
XLogP1.37
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-5-fluorophenyl)-(1-methylpyrazol-3-yl)methanone
CID 103130515
(2-iodophenyl)-(1-methylpyrazol-3-yl)methanone
CID 103133832
(2-amino-3-fluorophenyl)-pyrimidin-5-ylmethanone
CID 116597591
(5-fluoro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanone
CID 65195470
[2-(difluoromethoxy)phenyl]-(1-methylpyrazol-3-yl)methanone
CID 103133837
(2,5-dichlorophenyl)-(1-methylpyrazol-3-yl)methanone
CID 65195527
(2-amino-3-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone
CID 67350239
(2-amino-5-chloro-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone
CID 65195804
1-methylpyrazole-3-carboxamide
CID 13464586
(4-bromo-3-chloro-2-fluorophenyl)-(1-methylpyrazol-3-yl)methanone
CID 106761788
(2-amino-3-fluorophenyl)-(4-hydroxyphenyl)methanone
CID 105489005
(2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone
CID 103133703

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-fluorophenyl)-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of (2-amino-3-fluorophenyl)-(1-methylpyrazol-3-yl)methanone (CID 103133443) is (2-amino-3-fluorophenyl)-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for (2-amino-3-fluorophenyl)-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for (2-amino-3-fluorophenyl)-(1-methylpyrazol-3-yl)methanone is Cn1ccc(C(=O)c2cccc(F)c2N)n1.
What is the InChIKey of (2-amino-3-fluorophenyl)-(1-methylpyrazol-3-yl)methanone?
The InChIKey is FXTFJIJSAIIVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-15-6-5-9(14-15)11(16)7-3-2-4-8(12)10(7)13/h2-6H,13H2,1H3.
What are the key properties of (2-amino-3-fluorophenyl)-(1-methylpyrazol-3-yl)methanone?
(2-amino-3-fluorophenyl)-(1-methylpyrazol-3-yl)methanone has a molecular weight of 219.22 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-fluorophenyl)-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 103133443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).