1-(1-ethyl-4-methoxypyrazol-5-yl)-2-pyridin-4-ylethanone

C13H15N3O2 — CID 114639766

IUPAC1-(1-ethyl-4-methoxypyrazol-5-yl)-2-pyridin-4-ylethanone
SMILESCCn1ncc(OC)c1C(=O)Cc1ccncc1
InChIInChI=1S/C13H15N3O2/c1-3-16-13(12(18-2)9-15-16)11(17)8-10-4-6-14-7-5-10/h4-7,9H,3,8H2,1-2H3
InChIKeyQMEUNWDIJSZDNT-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.73
Rot. Bonds5

About 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-pyridin-4-ylethanone

1-(1-ethyl-4-methoxypyrazol-5-yl)-2-pyridin-4-ylethanone (PubChem CID 114639766) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-(1-ethyl-4-methoxypyrazol-5-yl)-2-pyridin-4-ylethanone
PubChem CID114639766
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-(1-ethyl-4-methoxypyrazol-5-yl)-2-pyridin-4-ylethanone
SMILESCCn1ncc(OC)c1C(=O)Cc1ccncc1
InChIInChI=1S/C13H15N3O2/c1-3-16-13(12(18-2)9-15-16)11(17)8-10-4-6-14-7-5-10/h4-7,9H,3,8H2,1-2H3
InChIKeyQMEUNWDIJSZDNT-UHFFFAOYSA-N
XLogP1.73
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanone
CID 114639767
2-(2,6-dichlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
CID 114639632
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-phenylethanone
CID 114638948
2-(tert-butylamino)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
CID 114670105
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenoxypropan-1-one
CID 114638771
2-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-one
CID 114668718
3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-one
CID 114671018
3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4-dimethylpentan-1-one
CID 114671046
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103214416
3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenylpropan-1-one
CID 114668323
2-(4-fluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone
CID 114639081
1-(4-methoxy-1-propylpyrazol-5-yl)-2-thiophen-2-ylethanone
CID 114639732

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-pyridin-4-ylethanone?
The IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-pyridin-4-ylethanone (CID 114639766) is 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-pyridin-4-ylethanone?
The canonical SMILES for 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-pyridin-4-ylethanone is CCn1ncc(OC)c1C(=O)Cc1ccncc1.
What is the InChIKey of 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-pyridin-4-ylethanone?
The InChIKey is QMEUNWDIJSZDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-16-13(12(18-2)9-15-16)11(17)8-10-4-6-14-7-5-10/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-pyridin-4-ylethanone?
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-pyridin-4-ylethanone has a molecular weight of 245.28 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-pyridin-4-ylethanone is sourced from PubChem (CID 114639766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).