1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanone

C12H13N3O2 — CID 114639767

IUPAC1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanone
SMILESCOc1cnn(C)c1C(=O)Cc1ccncc1
InChIInChI=1S/C12H13N3O2/c1-15-12(11(17-2)8-14-15)10(16)7-9-3-5-13-6-4-9/h3-6,8H,7H2,1-2H3
InChIKeyBGAOAFPYIOWZKX-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.25
Rot. Bonds4

About 1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanone

1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanone (PubChem CID 114639767) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanone
PubChem CID114639767
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanone
SMILESCOc1cnn(C)c1C(=O)Cc1ccncc1
InChIInChI=1S/C12H13N3O2/c1-15-12(11(17-2)8-14-15)10(16)7-9-3-5-13-6-4-9/h3-6,8H,7H2,1-2H3
InChIKeyBGAOAFPYIOWZKX-UHFFFAOYSA-N
XLogP1.25
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone
CID 114639081
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-pyridin-4-ylethanone
CID 114639766
5-amino-1-(4-methoxy-1-methylpyrazol-5-yl)pentan-1-one
CID 114669303
6-amino-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-one
CID 114668168
4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 46398720
1-(4-methoxy-1-methylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105132702
1-(4-methoxy-1-methylpyrazol-5-yl)-2-propan-2-yloxyethanone
CID 105132749
methyl 4-methoxy-1-methylpyrazole-5-carboxylate
CID 106942430
(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 105132801
4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-one
CID 105132777
3-(diethylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-one
CID 114641301
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-phenylethanone
CID 114638948

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanone?
The IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanone (CID 114639767) is 1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanone?
The canonical SMILES for 1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanone is COc1cnn(C)c1C(=O)Cc1ccncc1.
What is the InChIKey of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanone?
The InChIKey is BGAOAFPYIOWZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-15-12(11(17-2)8-14-15)10(16)7-9-3-5-13-6-4-9/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanone?
1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanone has a molecular weight of 231.26 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanone is sourced from PubChem (CID 114639767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).