[2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-5-methylpyrazol-3-yl]-(1-ethylpyrazol-4-yl)methanone

C19H19FN4O3 — CID 164719565

IUPAC[2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-5-methylpyrazol-3-yl]-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)c2cc(C)nn2-c2ccc(F)cc2C2OCCO2)cn1
InChIInChI=1S/C19H19FN4O3/c1-3-23-11-13(10-21-23)18(25)17-8-12(2)22-24(17)16-5-4-14(20)9-15(16)19-26-6-7-27-19/h4-5,8-11,19H,3,6-7H2,1-2H3
InChIKeyQTSBUWGURIXQOF-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.81
Rot. Bonds5

About [2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-5-methylpyrazol-3-yl]-(1-ethylpyrazol-4-yl)methanone

[2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-5-methylpyrazol-3-yl]-(1-ethylpyrazol-4-yl)methanone (PubChem CID 164719565) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is [2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-5-methylpyrazol-3-yl]-(1-ethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-5-methylpyrazol-3-yl]-(1-ethylpyrazol-4-yl)methanone
PubChem CID164719565
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name[2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-5-methylpyrazol-3-yl]-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)c2cc(C)nn2-c2ccc(F)cc2C2OCCO2)cn1
InChIInChI=1S/C19H19FN4O3/c1-3-23-11-13(10-21-23)18(25)17-8-12(2)22-24(17)16-5-4-14(20)9-15(16)19-26-6-7-27-19/h4-5,8-11,19H,3,6-7H2,1-2H3
InChIKeyQTSBUWGURIXQOF-UHFFFAOYSA-N
XLogP2.81
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-5-methylpyrazol-3-yl]-(1-ethylpyrazol-4-yl)methanone?
The IUPAC name of [2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-5-methylpyrazol-3-yl]-(1-ethylpyrazol-4-yl)methanone (CID 164719565) is [2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-5-methylpyrazol-3-yl]-(1-ethylpyrazol-4-yl)methanone.
What is the SMILES notation for [2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-5-methylpyrazol-3-yl]-(1-ethylpyrazol-4-yl)methanone?
The canonical SMILES for [2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-5-methylpyrazol-3-yl]-(1-ethylpyrazol-4-yl)methanone is CCn1cc(C(=O)c2cc(C)nn2-c2ccc(F)cc2C2OCCO2)cn1.
What is the InChIKey of [2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-5-methylpyrazol-3-yl]-(1-ethylpyrazol-4-yl)methanone?
The InChIKey is QTSBUWGURIXQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-3-23-11-13(10-21-23)18(25)17-8-12(2)22-24(17)16-5-4-14(20)9-15(16)19-26-6-7-27-19/h4-5,8-11,19H,3,6-7H2,1-2H3.
What are the key properties of [2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-5-methylpyrazol-3-yl]-(1-ethylpyrazol-4-yl)methanone?
[2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-5-methylpyrazol-3-yl]-(1-ethylpyrazol-4-yl)methanone has a molecular weight of 370.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-5-methylpyrazol-3-yl]-(1-ethylpyrazol-4-yl)methanone is sourced from PubChem (CID 164719565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).