[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-fluorophenyl)methanone

C15H18FN3O2 — CID 114638833

IUPAC[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-fluorophenyl)methanone
SMILESCOc1cnn(CCN(C)C)c1C(=O)c1ccc(F)cc1
InChIInChI=1S/C15H18FN3O2/c1-18(2)8-9-19-14(13(21-3)10-17-19)15(20)11-4-6-12(16)7-5-11/h4-7,10H,8-9H2,1-3H3
InChIKeyOAKSKANHJGUPKH-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.82
Rot. Bonds6

About [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-fluorophenyl)methanone

[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-fluorophenyl)methanone (PubChem CID 114638833) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-fluorophenyl)methanone
PubChem CID114638833
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-fluorophenyl)methanone
SMILESCOc1cnn(CCN(C)C)c1C(=O)c1ccc(F)cc1
InChIInChI=1S/C15H18FN3O2/c1-18(2)8-9-19-14(13(21-3)10-17-19)15(20)11-4-6-12(16)7-5-11/h4-7,10H,8-9H2,1-3H3
InChIKeyOAKSKANHJGUPKH-UHFFFAOYSA-N
XLogP1.82
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-fluoro-2-pyridinyl)methanone
CID 114641932
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-methoxythiophen-2-yl)methanone
CID 115803118
(2-aminophenyl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanone
CID 114640349
2-amino-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one
CID 114668269
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxyethanone
CID 114639516
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxy-3-methylbutan-1-one
CID 114642562
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-3-methoxypropan-1-one
CID 114639473
[4-(dimethylamino)phenyl]-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 105132998
2-(dimethylamino)-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methylpropan-1-one
CID 114641063
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-phenylethanone
CID 114638948
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-methoxythiophen-2-yl)methanone
CID 115803268
7-bicyclo[4.1.0]heptanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanone
CID 115803154

Frequently Asked Questions

What is the IUPAC name of [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-fluorophenyl)methanone (CID 114638833) is [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-fluorophenyl)methanone is COc1cnn(CCN(C)C)c1C(=O)c1ccc(F)cc1.
What is the InChIKey of [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-fluorophenyl)methanone?
The InChIKey is OAKSKANHJGUPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-18(2)8-9-19-14(13(21-3)10-17-19)15(20)11-4-6-12(16)7-5-11/h4-7,10H,8-9H2,1-3H3.
What are the key properties of [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-fluorophenyl)methanone?
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-fluorophenyl)methanone has a molecular weight of 291.33 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 114638833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).