(2,5-dimethylpyrazol-3-yl)-pyridin-3-ylmethanone

C11H11N3O — CID 105081218

IUPAC(2,5-dimethylpyrazol-3-yl)-pyridin-3-ylmethanone
SMILESCc1cc(C(=O)c2cccnc2)n(C)n1
InChIInChI=1S/C11H11N3O/c1-8-6-10(14(2)13-8)11(15)9-4-3-5-12-7-9/h3-7H,1-2H3
InChIKeySEAUWWDNJAQDCY-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.35
Rot. Bonds2

About (2,5-dimethylpyrazol-3-yl)-pyridin-3-ylmethanone

(2,5-dimethylpyrazol-3-yl)-pyridin-3-ylmethanone (PubChem CID 105081218) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)-pyridin-3-ylmethanone
PubChem CID105081218
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name(2,5-dimethylpyrazol-3-yl)-pyridin-3-ylmethanone
SMILESCc1cc(C(=O)c2cccnc2)n(C)n1
InChIInChI=1S/C11H11N3O/c1-8-6-10(14(2)13-8)11(15)9-4-3-5-12-7-9/h3-7H,1-2H3
InChIKeySEAUWWDNJAQDCY-UHFFFAOYSA-N
XLogP1.35
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanone
CID 105082301
(2,5-dimethylpyrazol-3-yl)-(3-fluoro-4-pyridinyl)methanone
CID 105129319
(2-methyl-4-pyridinyl)-pyridin-3-ylmethanone
CID 106754556
(2,5-dimethylpyrazol-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 58087209
2,5-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]pyrazole-3-carboxamide
CID 66126278
(3-ethyl-1-methylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanone
CID 105098784
2,5-dimethyl-N-[2-(pyridin-3-ylamino)ethyl]pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154887447
2,5-dimethyl-N-[3-(3-pyridin-3-ylphenyl)propyl]pyrazole-3-carboxamide
CID 138674387
N-(3-acetylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61059268
1-(2,5-dimethylpyrazol-3-yl)-2-pyridin-4-ylethanone
CID 105110466
(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 105095285
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide
CID 30954654

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl)-pyridin-3-ylmethanone?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)-pyridin-3-ylmethanone (CID 105081218) is (2,5-dimethylpyrazol-3-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)-pyridin-3-ylmethanone is Cc1cc(C(=O)c2cccnc2)n(C)n1.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)-pyridin-3-ylmethanone?
The InChIKey is SEAUWWDNJAQDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-8-6-10(14(2)13-8)11(15)9-4-3-5-12-7-9/h3-7H,1-2H3.
What are the key properties of (2,5-dimethylpyrazol-3-yl)-pyridin-3-ylmethanone?
(2,5-dimethylpyrazol-3-yl)-pyridin-3-ylmethanone has a molecular weight of 201.23 g/mol, XLogP of 1.35, 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)-pyridin-3-ylmethanone is sourced from PubChem (CID 105081218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).