2-(5-amino-3-pyridinyl)-4-fluoro-5-methyl-4H-pyrazol-3-one

C9H9FN4O — CID 131583506

IUPAC2-(5-amino-3-pyridinyl)-4-fluoro-5-methyl-4H-pyrazol-3-one
SMILESCC1=NN(c2cncc(N)c2)C(=O)C1F
InChIInChI=1S/C9H9FN4O/c1-5-8(10)9(15)14(13-5)7-2-6(11)3-12-4-7/h2-4,8H,11H2,1H3
InChIKeyZRVBHBURXOWTHZ-UHFFFAOYSA-N
MW208.20 g/mol
LogP0.72
Rot. Bonds1

About 2-(5-amino-3-pyridinyl)-4-fluoro-5-methyl-4H-pyrazol-3-one

2-(5-amino-3-pyridinyl)-4-fluoro-5-methyl-4H-pyrazol-3-one (PubChem CID 131583506) has the molecular formula C9H9FN4O and a molecular weight of 208.20 g/mol. Its IUPAC name is 2-(5-amino-3-pyridinyl)-4-fluoro-5-methyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-(5-amino-3-pyridinyl)-4-fluoro-5-methyl-4H-pyrazol-3-one
PubChem CID131583506
Molecular FormulaC9H9FN4O
Molecular Weight208.20 g/mol
Exact Mass208.08
IUPAC Name2-(5-amino-3-pyridinyl)-4-fluoro-5-methyl-4H-pyrazol-3-one
SMILESCC1=NN(c2cncc(N)c2)C(=O)C1F
InChIInChI=1S/C9H9FN4O/c1-5-8(10)9(15)14(13-5)7-2-6(11)3-12-4-7/h2-4,8H,11H2,1H3
InChIKeyZRVBHBURXOWTHZ-UHFFFAOYSA-N
XLogP0.72
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-3-pyridinyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one
CID 165438239
2-(4-amino-2-pyridinyl)-4-fluoro-5-methyl-4H-pyrazol-3-one
CID 131584378
2-(3-aminophenyl)-4,5-dimethyl-4H-pyrazol-3-one
CID 60996104
5-morpholin-4-ylpyridin-3-amine;dihydrochloride
CID 67312945
2-(5-bromo-3-pyridinyl)-5-methyl-4H-pyrazol-3-one
CID 67513501
5-(4,4-difluoropiperidin-1-yl)pyridin-3-amine
CID 176901178
2-(5-amino-2-pyridinyl)-5-ethyl-4-fluoro-4H-pyrazol-3-one
CID 131572870
5-(4-cyclopropylpiperazin-1-yl)pyridin-3-amine
CID 104533354
5-(3-propan-2-ylpyrrolidin-1-yl)pyridin-3-amine
CID 104535877
4,5-dimethyl-2-(2,4,6-trimethylphenyl)-4H-pyrazol-3-one
CID 55120669
5-methyl-2-(4-methylphenyl)-4-(5-methyl-1H-pyrazol-3-yl)-4H-pyrazol-3-one
CID 11852694
1-(5-amino-3-pyridinyl)-N-methylpyrrolidine-2-carboxamide
CID 104533673

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-pyridinyl)-4-fluoro-5-methyl-4H-pyrazol-3-one?
The IUPAC name of 2-(5-amino-3-pyridinyl)-4-fluoro-5-methyl-4H-pyrazol-3-one (CID 131583506) is 2-(5-amino-3-pyridinyl)-4-fluoro-5-methyl-4H-pyrazol-3-one.
What is the SMILES notation for 2-(5-amino-3-pyridinyl)-4-fluoro-5-methyl-4H-pyrazol-3-one?
The canonical SMILES for 2-(5-amino-3-pyridinyl)-4-fluoro-5-methyl-4H-pyrazol-3-one is CC1=NN(c2cncc(N)c2)C(=O)C1F.
What is the InChIKey of 2-(5-amino-3-pyridinyl)-4-fluoro-5-methyl-4H-pyrazol-3-one?
The InChIKey is ZRVBHBURXOWTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O/c1-5-8(10)9(15)14(13-5)7-2-6(11)3-12-4-7/h2-4,8H,11H2,1H3.
What are the key properties of 2-(5-amino-3-pyridinyl)-4-fluoro-5-methyl-4H-pyrazol-3-one?
2-(5-amino-3-pyridinyl)-4-fluoro-5-methyl-4H-pyrazol-3-one has a molecular weight of 208.20 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-pyridinyl)-4-fluoro-5-methyl-4H-pyrazol-3-one is sourced from PubChem (CID 131583506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).