[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-fluoro-2-pyridinyl)methanone

C14H17FN4O2 — CID 114641932

IUPAC[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-fluoro-2-pyridinyl)methanone
SMILESCOc1cnn(CCN(C)C)c1C(=O)c1ncccc1F
InChIInChI=1S/C14H17FN4O2/c1-18(2)7-8-19-13(11(21-3)9-17-19)14(20)12-10(15)5-4-6-16-12/h4-6,9H,7-8H2,1-3H3
InChIKeyFPKTUZQLUIHHQV-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.22
Rot. Bonds6

About [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-fluoro-2-pyridinyl)methanone

[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-fluoro-2-pyridinyl)methanone (PubChem CID 114641932) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-fluoro-2-pyridinyl)methanone.

Molecular Properties

Compound Name[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-fluoro-2-pyridinyl)methanone
PubChem CID114641932
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC Name[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-fluoro-2-pyridinyl)methanone
SMILESCOc1cnn(CCN(C)C)c1C(=O)c1ncccc1F
InChIInChI=1S/C14H17FN4O2/c1-18(2)7-8-19-13(11(21-3)9-17-19)14(20)12-10(15)5-4-6-16-12/h4-6,9H,7-8H2,1-3H3
InChIKeyFPKTUZQLUIHHQV-UHFFFAOYSA-N
XLogP1.22
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-fluorophenyl)methanone
CID 114638833
(2-aminophenyl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanone
CID 114640349
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-methoxythiophen-2-yl)methanone
CID 115803118
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-phenylethanone
CID 114638948
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-methyl-2-pyridinyl)methanone
CID 114639608
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxyethanone
CID 114639516
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]-3-methoxypropan-1-one
CID 114639473
2-(dimethylamino)-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methylpropan-1-one
CID 114641063
[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
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxy-3-methylbutan-1-one
CID 114642562

Frequently Asked Questions

What is the IUPAC name of [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-fluoro-2-pyridinyl)methanone?
The IUPAC name of [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-fluoro-2-pyridinyl)methanone (CID 114641932) is [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-fluoro-2-pyridinyl)methanone.
What is the SMILES notation for [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-fluoro-2-pyridinyl)methanone?
The canonical SMILES for [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-fluoro-2-pyridinyl)methanone is COc1cnn(CCN(C)C)c1C(=O)c1ncccc1F.
What is the InChIKey of [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-fluoro-2-pyridinyl)methanone?
The InChIKey is FPKTUZQLUIHHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2/c1-18(2)7-8-19-13(11(21-3)9-17-19)14(20)12-10(15)5-4-6-16-12/h4-6,9H,7-8H2,1-3H3.
What are the key properties of [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-fluoro-2-pyridinyl)methanone?
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-fluoro-2-pyridinyl)methanone has a molecular weight of 292.31 g/mol, XLogP of 1.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-fluoro-2-pyridinyl)methanone is sourced from PubChem (CID 114641932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).