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

C18H16F2N4O3 — CID 164719366

IUPAC[1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-3-fluoropyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)c2cc(F)nn2-c2ccc(F)cc2C2OCCO2)cn1
InChIInChI=1S/C18H16F2N4O3/c1-2-23-10-11(9-21-23)17(25)15-8-16(20)22-24(15)14-4-3-12(19)7-13(14)18-26-5-6-27-18/h3-4,7-10,18H,2,5-6H2,1H3
InChIKeyAROXWFGKQSLRNK-UHFFFAOYSA-N
MW374.35 g/mol
LogP2.64
Rot. Bonds5

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

[1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-3-fluoropyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanone (PubChem CID 164719366) has the molecular formula C18H16F2N4O3 and a molecular weight of 374.35 g/mol. Its IUPAC name is [1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-3-fluoropyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-3-fluoropyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanone
PubChem CID164719366
Molecular FormulaC18H16F2N4O3
Molecular Weight374.35 g/mol
Exact Mass374.12
IUPAC Name[1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-3-fluoropyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)c2cc(F)nn2-c2ccc(F)cc2C2OCCO2)cn1
InChIInChI=1S/C18H16F2N4O3/c1-2-23-10-11(9-21-23)17(25)15-8-16(20)22-24(15)14-4-3-12(19)7-13(14)18-26-5-6-27-18/h3-4,7-10,18H,2,5-6H2,1H3
InChIKeyAROXWFGKQSLRNK-UHFFFAOYSA-N
XLogP2.64
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-3-fluoropyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-Bromo-1-ethylpyrazol-4-yl)-[2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]pyrazol-3-yl]methanone
CID 164718537
[1-[2-(1,3-Dioxolan-2-yl)-4-fluorophenyl]-3-fluoropyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol
CID 164718579
5-[2-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]pyrazole-3-carbonyl]-1H-pyrazole-3-carbonitrile
CID 164718767
5-[2-[2-(1,3-Dioxolan-2-yl)-4-fluorophenyl]pyrazole-3-carbonyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbaldehyde
CID 164718777
3-[2-[2-(1,3-Dioxolan-2-yl)-4-fluorophenyl]pyrazole-3-carbonyl]-1-methylpyrazole-5-carbonitrile
CID 164718908
(1-Ethylpyrazol-4-yl)-[3-fluoro-1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazol-5-yl]methanone
CID 164719011
(5-Bromo-1-ethylpyrazol-4-yl)-[1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-4-fluoropyrazol-5-yl]methanone
CID 164719019
5-[2-[2-(1,3-Dioxolan-2-yl)-4-fluorophenyl]pyrazole-3-carbonyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonitrile
CID 164719347
Methyl 2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorobenzoate
CID 164719402
1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]pyrazole-3-carbaldehyde
CID 164719455
[2-[2-(1,3-Dioxolan-2-yl)-4-fluorophenyl]-5-methylpyrazol-3-yl]-(1-ethylpyrazol-4-yl)methanone
CID 164719565
3-[2-[2-(1,3-Dioxol-2-yl)-4-fluorophenyl]pyrazole-3-carbonyl]-1-methylpyrazole-5-carbonitrile
CID 168154499

Frequently Asked Questions

What is the IUPAC name of [1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-3-fluoropyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanone?
The IUPAC name of [1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-3-fluoropyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanone (CID 164719366) is [1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-3-fluoropyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanone.
What is the SMILES notation for [1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-3-fluoropyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanone?
The canonical SMILES for [1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-3-fluoropyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanone is CCn1cc(C(=O)c2cc(F)nn2-c2ccc(F)cc2C2OCCO2)cn1.
What is the InChIKey of [1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-3-fluoropyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanone?
The InChIKey is AROXWFGKQSLRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O3/c1-2-23-10-11(9-21-23)17(25)15-8-16(20)22-24(15)14-4-3-12(19)7-13(14)18-26-5-6-27-18/h3-4,7-10,18H,2,5-6H2,1H3.
What are the key properties of [1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-3-fluoropyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanone?
[1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-3-fluoropyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanone has a molecular weight of 374.35 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-3-fluoropyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanone is sourced from PubChem (CID 164719366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).