[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[3-(propoxymethyl)pyrrolidin-1-yl]methanone

C18H22FN3O2 — CID 70726778

IUPAC[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[3-(propoxymethyl)pyrrolidin-1-yl]methanone
SMILESCCCOCC1CCN(C(=O)c2cn[nH]c2-c2cccc(F)c2)C1
InChIInChI=1S/C18H22FN3O2/c1-2-8-24-12-13-6-7-22(11-13)18(23)16-10-20-21-17(16)14-4-3-5-15(19)9-14/h3-5,9-10,13H,2,6-8,11-12H2,1H3,(H,20,21)
InChIKeyRIVBRJYXGBBIHR-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.10
Rot. Bonds6

About [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[3-(propoxymethyl)pyrrolidin-1-yl]methanone

[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[3-(propoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 70726778) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[3-(propoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[3-(propoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID70726778
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[3-(propoxymethyl)pyrrolidin-1-yl]methanone
SMILESCCCOCC1CCN(C(=O)c2cn[nH]c2-c2cccc(F)c2)C1
InChIInChI=1S/C18H22FN3O2/c1-2-8-24-12-13-6-7-22(11-13)18(23)16-10-20-21-17(16)14-4-3-5-15(19)9-14/h3-5,9-10,13H,2,6-8,11-12H2,1H3,(H,20,21)
InChIKeyRIVBRJYXGBBIHR-UHFFFAOYSA-N
XLogP3.10
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[3-(propoxymethyl)pyrrolidin-1-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-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70780162
[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 95221550
[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]methanone
CID 56866332
[3-(aminomethyl)pyrrolidin-1-yl]-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methanone
CID 119487330
[3-(4-fluoroanilino)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 45218235
(4-aminopiperidin-1-yl)-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 139023916
[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone
CID 70771223
(2S,4R)-4-amino-N-ethyl-1-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]pyrrolidine-2-carboxamide
CID 56701828
2-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
CID 154565308
[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 56872933
1-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]ethanone
CID 105455963
4-[5-(3-methoxyphenyl)-1H-pyrazole-4-carbonyl]piperazine-2-carboxylic acid
CID 56877528

Frequently Asked Questions

What is the IUPAC name of [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[3-(propoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[3-(propoxymethyl)pyrrolidin-1-yl]methanone (CID 70726778) is [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[3-(propoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[3-(propoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[3-(propoxymethyl)pyrrolidin-1-yl]methanone is CCCOCC1CCN(C(=O)c2cn[nH]c2-c2cccc(F)c2)C1.
What is the InChIKey of [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[3-(propoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is RIVBRJYXGBBIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-2-8-24-12-13-6-7-22(11-13)18(23)16-10-20-21-17(16)14-4-3-5-15(19)9-14/h3-5,9-10,13H,2,6-8,11-12H2,1H3,(H,20,21).
What are the key properties of [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[3-(propoxymethyl)pyrrolidin-1-yl]methanone?
[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[3-(propoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 331.39 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[3-(propoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 70726778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).