(3-ethyl-2-pyridinyl)-(2-phenylpyrazol-3-yl)methanone

C17H15N3O — CID 107330218

IUPAC(3-ethyl-2-pyridinyl)-(2-phenylpyrazol-3-yl)methanone
SMILESCCc1cccnc1C(=O)c1ccnn1-c1ccccc1
InChIInChI=1S/C17H15N3O/c1-2-13-7-6-11-18-16(13)17(21)15-10-12-19-20(15)14-8-4-3-5-9-14/h3-12H,2H2,1H3
InChIKeyHTBBOVZPPFTNGM-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.06
Rot. Bonds4

About (3-ethyl-2-pyridinyl)-(2-phenylpyrazol-3-yl)methanone

(3-ethyl-2-pyridinyl)-(2-phenylpyrazol-3-yl)methanone (PubChem CID 107330218) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is (3-ethyl-2-pyridinyl)-(2-phenylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(3-ethyl-2-pyridinyl)-(2-phenylpyrazol-3-yl)methanone
PubChem CID107330218
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name(3-ethyl-2-pyridinyl)-(2-phenylpyrazol-3-yl)methanone
SMILESCCc1cccnc1C(=O)c1ccnn1-c1ccccc1
InChIInChI=1S/C17H15N3O/c1-2-13-7-6-11-18-16(13)17(21)15-10-12-19-20(15)14-8-4-3-5-9-14/h3-12H,2H2,1H3
InChIKeyHTBBOVZPPFTNGM-UHFFFAOYSA-N
XLogP3.06
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-phenylpyrazol-3-yl)-pyridin-2-ylmethanone
CID 107330077
(1-methylimidazol-4-yl)-(2-phenylpyrazol-3-yl)methanone
CID 107977650
2-(ethylamino)-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one
CID 107331632
2-(diethylamino)-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one
CID 107330168
(2-methylpyrimidin-4-yl)-(2-phenylpyrazol-3-yl)methanone
CID 107330211
2-ethoxy-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one
CID 107330243
acetic acid;3-ethylpyridine-2-carboxylic acid
CID 118035690
2-(tert-butylamino)-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331688
(3-ethyl-2-pyridinyl)-(furan-2-yl)methanone
CID 82729679
(2,3-dimethylphenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107331815
(2-methylsulfanylphenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107331845
(3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107330104

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-2-pyridinyl)-(2-phenylpyrazol-3-yl)methanone?
The IUPAC name of (3-ethyl-2-pyridinyl)-(2-phenylpyrazol-3-yl)methanone (CID 107330218) is (3-ethyl-2-pyridinyl)-(2-phenylpyrazol-3-yl)methanone.
What is the SMILES notation for (3-ethyl-2-pyridinyl)-(2-phenylpyrazol-3-yl)methanone?
The canonical SMILES for (3-ethyl-2-pyridinyl)-(2-phenylpyrazol-3-yl)methanone is CCc1cccnc1C(=O)c1ccnn1-c1ccccc1.
What is the InChIKey of (3-ethyl-2-pyridinyl)-(2-phenylpyrazol-3-yl)methanone?
The InChIKey is HTBBOVZPPFTNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-2-13-7-6-11-18-16(13)17(21)15-10-12-19-20(15)14-8-4-3-5-9-14/h3-12H,2H2,1H3.
What are the key properties of (3-ethyl-2-pyridinyl)-(2-phenylpyrazol-3-yl)methanone?
(3-ethyl-2-pyridinyl)-(2-phenylpyrazol-3-yl)methanone has a molecular weight of 277.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-2-pyridinyl)-(2-phenylpyrazol-3-yl)methanone is sourced from PubChem (CID 107330218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).