N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-4-(2-hydroxyethylsulfanyl)benzamide

C19H18FN3O2S — CID 86284172

IUPACN-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-4-(2-hydroxyethylsulfanyl)benzamide
SMILESO=C(NCc1cnn(-c2cccc(F)c2)c1)c1ccc(SCCO)cc1
InChIInChI=1S/C19H18FN3O2S/c20-16-2-1-3-17(10-16)23-13-14(12-22-23)11-21-19(25)15-4-6-18(7-5-15)26-9-8-24/h1-7,10,12-13,24H,8-9,11H2,(H,21,25)
InChIKeyQBCODJMZQYSULK-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.03
Rot. Bonds7

About N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-4-(2-hydroxyethylsulfanyl)benzamide

N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-4-(2-hydroxyethylsulfanyl)benzamide (PubChem CID 86284172) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-4-(2-hydroxyethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-4-(2-hydroxyethylsulfanyl)benzamide
PubChem CID86284172
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC NameN-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-4-(2-hydroxyethylsulfanyl)benzamide
SMILESO=C(NCc1cnn(-c2cccc(F)c2)c1)c1ccc(SCCO)cc1
InChIInChI=1S/C19H18FN3O2S/c20-16-2-1-3-17(10-16)23-13-14(12-22-23)11-21-19(25)15-4-6-18(7-5-15)26-9-8-24/h1-7,10,12-13,24H,8-9,11H2,(H,21,25)
InChIKeyQBCODJMZQYSULK-UHFFFAOYSA-N
XLogP3.03
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-4-(2-hydroxyethylsulfanyl)benzamide 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

(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]acetamide
CID 97203341
N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 17483211
1-[2-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 70729694
2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide
CID 39058604
N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 99973189
N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-(3-oxo-1H-indazol-2-yl)acetamide
CID 131941375
(1S,3R,4R)-4-amino-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-hydroxycyclohexane-1-carboxamide;hydrochloride
CID 155938457
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-(1H-pyrazol-5-yl)benzamide
CID 72922589
3-(2,5-dioxoimidazolidin-4-yl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]propanamide
CID 70767719
4-(2-oxopyrrolidin-1-yl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 17442772
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]acetamide
CID 91781842
N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 138635786

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-4-(2-hydroxyethylsulfanyl)benzamide?
The IUPAC name of N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-4-(2-hydroxyethylsulfanyl)benzamide (CID 86284172) is N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-4-(2-hydroxyethylsulfanyl)benzamide.
What is the SMILES notation for N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-4-(2-hydroxyethylsulfanyl)benzamide?
The canonical SMILES for N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-4-(2-hydroxyethylsulfanyl)benzamide is O=C(NCc1cnn(-c2cccc(F)c2)c1)c1ccc(SCCO)cc1.
What is the InChIKey of N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-4-(2-hydroxyethylsulfanyl)benzamide?
The InChIKey is QBCODJMZQYSULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c20-16-2-1-3-17(10-16)23-13-14(12-22-23)11-21-19(25)15-4-6-18(7-5-15)26-9-8-24/h1-7,10,12-13,24H,8-9,11H2,(H,21,25).
What are the key properties of N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-4-(2-hydroxyethylsulfanyl)benzamide?
N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-4-(2-hydroxyethylsulfanyl)benzamide has a molecular weight of 371.44 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-4-(2-hydroxyethylsulfanyl)benzamide is sourced from PubChem (CID 86284172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).