[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-(1-methylpyrazol-3-yl)methanone

C18H22FN3O3 — CID 155990699

IUPAC[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCCC(O)(COc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H22FN3O3/c1-21-11-7-16(20-21)17(23)22-10-2-8-18(24,9-12-22)13-25-15-5-3-14(19)4-6-15/h3-7,11,24H,2,8-10,12-13H2,1H3
InChIKeySSCZTGSOWHNBPY-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.00
Rot. Bonds4

About [4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-(1-methylpyrazol-3-yl)methanone

[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 155990699) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is [4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID155990699
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCCC(O)(COc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H22FN3O3/c1-21-11-7-16(20-21)17(23)22-10-2-8-18(24,9-12-22)13-25-15-5-3-14(19)4-6-15/h3-7,11,24H,2,8-10,12-13H2,1H3
InChIKeySSCZTGSOWHNBPY-UHFFFAOYSA-N
XLogP2.00
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-(1-methylpyrazol-3-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

(1-ethylpyrazol-4-yl)-[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]methanone
CID 155990843
(2,5-difluorophenyl)-[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]methanone
CID 155991224
[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-(3-methylphenyl)methanone
CID 155991254
N-[4-[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepane-1-carbonyl]-2-pyridinyl]acetamide
CID 155991080
[1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone
CID 35326018
3-[(4-fluorophenoxy)methyl]-1-[(1-methylpyrazol-3-yl)methyl]piperidin-3-ol
CID 155990623
1-[3-[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-3-oxopropyl]pyridin-2-one
CID 155991024
(1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
CID 19577577
(3,5-difluorophenyl)-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]methanone
CID 155991718
[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 155990807
1-[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 155990996
N-[1-[[4-hydroxy-1-(1-methylpyrazole-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 110098133

Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-(1-methylpyrazol-3-yl)methanone (CID 155990699) is [4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-(1-methylpyrazol-3-yl)methanone is Cn1ccc(C(=O)N2CCCC(O)(COc3ccc(F)cc3)CC2)n1.
What is the InChIKey of [4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is SSCZTGSOWHNBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3/c1-21-11-7-16(20-21)17(23)22-10-2-8-18(24,9-12-22)13-25-15-5-3-14(19)4-6-15/h3-7,11,24H,2,8-10,12-13H2,1H3.
What are the key properties of [4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-(1-methylpyrazol-3-yl)methanone?
[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 347.39 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 155990699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).