(5-amino-1H-pyrazol-4-yl)-(5-fluoro-3-pyridinyl)methanone

C9H7FN4O — CID 65360874

IUPAC(5-amino-1H-pyrazol-4-yl)-(5-fluoro-3-pyridinyl)methanone
SMILESNc1[nH]ncc1C(=O)c1cncc(F)c1
InChIInChI=1S/C9H7FN4O/c10-6-1-5(2-12-3-6)8(15)7-4-13-14-9(7)11/h1-4H,(H3,11,13,14)
InChIKeyWOFMCAHBJQIYJQ-UHFFFAOYSA-N
MW206.18 g/mol
LogP0.76
Rot. Bonds2

About (5-amino-1H-pyrazol-4-yl)-(5-fluoro-3-pyridinyl)methanone

(5-amino-1H-pyrazol-4-yl)-(5-fluoro-3-pyridinyl)methanone (PubChem CID 65360874) has the molecular formula C9H7FN4O and a molecular weight of 206.18 g/mol. Its IUPAC name is (5-amino-1H-pyrazol-4-yl)-(5-fluoro-3-pyridinyl)methanone.

Molecular Properties

Compound Name(5-amino-1H-pyrazol-4-yl)-(5-fluoro-3-pyridinyl)methanone
PubChem CID65360874
Molecular FormulaC9H7FN4O
Molecular Weight206.18 g/mol
Exact Mass206.06
IUPAC Name(5-amino-1H-pyrazol-4-yl)-(5-fluoro-3-pyridinyl)methanone
SMILESNc1[nH]ncc1C(=O)c1cncc(F)c1
InChIInChI=1S/C9H7FN4O/c10-6-1-5(2-12-3-6)8(15)7-4-13-14-9(7)11/h1-4H,(H3,11,13,14)
InChIKeyWOFMCAHBJQIYJQ-UHFFFAOYSA-N
XLogP0.76
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-amino-2-bromophenyl)-(5-fluoro-3-pyridinyl)methanone
CID 116602928
5-amino-1H-pyrazole-4-carbothioic S-acid
CID 117213718
(5-amino-1H-pyrazol-4-yl)-(5-fluoro-2-methoxyphenyl)methanone
CID 82770548
(3,6-dimethylpyridazin-4-yl)-(5-fluoro-3-pyridinyl)methanone
CID 105081876
(5-amino-1H-pyrazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 14674009
(5-fluoro-3-pyridinyl)-(2-methylsulfanylphenyl)methanone
CID 114963550
(5-amino-1H-pyrazol-4-yl)-(3-bromo-2-fluorophenyl)methanone
CID 106644828
[5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanone
CID 118484780
(2-bromo-5-methylphenyl)-(5-fluoro-3-pyridinyl)methanone
CID 114963527
5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)pyridine-3-carboxamide
CID 115694727
(5-amino-1H-pyrazol-4-yl)-(2,5-dichlorophenyl)methanone
CID 14674018
(5-amino-1H-pyrazol-4-yl)-(1-ethylpyrazol-4-yl)methanone
CID 65360867

Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-pyrazol-4-yl)-(5-fluoro-3-pyridinyl)methanone?
The IUPAC name of (5-amino-1H-pyrazol-4-yl)-(5-fluoro-3-pyridinyl)methanone (CID 65360874) is (5-amino-1H-pyrazol-4-yl)-(5-fluoro-3-pyridinyl)methanone.
What is the SMILES notation for (5-amino-1H-pyrazol-4-yl)-(5-fluoro-3-pyridinyl)methanone?
The canonical SMILES for (5-amino-1H-pyrazol-4-yl)-(5-fluoro-3-pyridinyl)methanone is Nc1[nH]ncc1C(=O)c1cncc(F)c1.
What is the InChIKey of (5-amino-1H-pyrazol-4-yl)-(5-fluoro-3-pyridinyl)methanone?
The InChIKey is WOFMCAHBJQIYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4O/c10-6-1-5(2-12-3-6)8(15)7-4-13-14-9(7)11/h1-4H,(H3,11,13,14).
What are the key properties of (5-amino-1H-pyrazol-4-yl)-(5-fluoro-3-pyridinyl)methanone?
(5-amino-1H-pyrazol-4-yl)-(5-fluoro-3-pyridinyl)methanone has a molecular weight of 206.18 g/mol, XLogP of 0.76, 2 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-3-pyridinyl)methanone is sourced from PubChem (CID 65360874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).