(2,5-dimethylpyrazol-3-yl)-(3-fluoro-4-pyridinyl)methanone

C11H10FN3O — CID 105129319

IUPAC(2,5-dimethylpyrazol-3-yl)-(3-fluoro-4-pyridinyl)methanone
SMILESCc1cc(C(=O)c2ccncc2F)n(C)n1
InChIInChI=1S/C11H10FN3O/c1-7-5-10(15(2)14-7)11(16)8-3-4-13-6-9(8)12/h3-6H,1-2H3
InChIKeyPWAVOWWGZIYWMO-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.49
Rot. Bonds2

About (2,5-dimethylpyrazol-3-yl)-(3-fluoro-4-pyridinyl)methanone

(2,5-dimethylpyrazol-3-yl)-(3-fluoro-4-pyridinyl)methanone (PubChem CID 105129319) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)-(3-fluoro-4-pyridinyl)methanone.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)-(3-fluoro-4-pyridinyl)methanone
PubChem CID105129319
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name(2,5-dimethylpyrazol-3-yl)-(3-fluoro-4-pyridinyl)methanone
SMILESCc1cc(C(=O)c2ccncc2F)n(C)n1
InChIInChI=1S/C11H10FN3O/c1-7-5-10(15(2)14-7)11(16)8-3-4-13-6-9(8)12/h3-6H,1-2H3
InChIKeyPWAVOWWGZIYWMO-UHFFFAOYSA-N
XLogP1.49
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethylpyrazol-3-yl)-pyridin-3-ylmethanone
CID 105081218
(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 105095285
(3-fluoro-4-pyridinyl)-(2-methyl-4-pyridinyl)methanone
CID 106754774
(3-fluoro-4-pyridinyl)-(2-methyl-1,2,4-triazol-3-yl)methanone
CID 130529576
(2,5-dimethylpyrazol-3-yl)-(2-methyltriazol-4-yl)methanone
CID 130603519
(2,5-dimethylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanone
CID 105082301
(2,5-dimethylpyrazol-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 58087209
3-fluoro-N,N-dimethylpyridine-4-carboxamide
CID 64950687
1-(2,5-dimethylpyrazol-3-yl)-2-pyridin-4-ylethanone
CID 105110466
4-[(2,5-dimethylpyrazole-3-carbonyl)amino]-2-fluorobenzoic acid
CID 103791549
(3,4-dimethylphenyl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 105093552
(2,5-dimethoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 105098356

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl)-(3-fluoro-4-pyridinyl)methanone?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)-(3-fluoro-4-pyridinyl)methanone (CID 105129319) is (2,5-dimethylpyrazol-3-yl)-(3-fluoro-4-pyridinyl)methanone.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)-(3-fluoro-4-pyridinyl)methanone?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)-(3-fluoro-4-pyridinyl)methanone is Cc1cc(C(=O)c2ccncc2F)n(C)n1.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)-(3-fluoro-4-pyridinyl)methanone?
The InChIKey is PWAVOWWGZIYWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-7-5-10(15(2)14-7)11(16)8-3-4-13-6-9(8)12/h3-6H,1-2H3.
What are the key properties of (2,5-dimethylpyrazol-3-yl)-(3-fluoro-4-pyridinyl)methanone?
(2,5-dimethylpyrazol-3-yl)-(3-fluoro-4-pyridinyl)methanone has a molecular weight of 219.22 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl)-(3-fluoro-4-pyridinyl)methanone is sourced from PubChem (CID 105129319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).