2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide

C19H21FN4OS — CID 36801943

IUPAC2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
SMILESCCN(CC(=O)Nc1ccnn1Cc1cccs1)Cc1cccc(F)c1
InChIInChI=1S/C19H21FN4OS/c1-2-23(12-15-5-3-6-16(20)11-15)14-19(25)22-18-8-9-21-24(18)13-17-7-4-10-26-17/h3-11H,2,12-14H2,1H3,(H,22,25)
InChIKeySABATUTZWFQPDN-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.59
Rot. Bonds8

About 2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide

2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide (PubChem CID 36801943) has the molecular formula C19H21FN4OS and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
PubChem CID36801943
Molecular FormulaC19H21FN4OS
Molecular Weight372.47 g/mol
Exact Mass372.14
IUPAC Name2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
SMILESCCN(CC(=O)Nc1ccnn1Cc1cccs1)Cc1cccc(F)c1
InChIInChI=1S/C19H21FN4OS/c1-2-23(12-15-5-3-6-16(20)11-15)14-19(25)22-18-8-9-21-24(18)13-17-7-4-10-26-17/h3-11H,2,12-14H2,1H3,(H,22,25)
InChIKeySABATUTZWFQPDN-UHFFFAOYSA-N
XLogP3.59
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide 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

2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 51286651
2-[1-(4-fluorophenyl)ethyl-methylamino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 51287494
2-amino-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 121209392
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
CID 18088803
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide
CID 24525272
2-(4-chlorophenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 8911690
N-(2,6-difluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718062
N-(2-amino-4-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 61439173
2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 86960309
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide
CID 16564232
3-bromo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911637
2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-(4-methylsulfonylphenyl)acetamide
CID 17443267

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide (CID 36801943) is 2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide is CCN(CC(=O)Nc1ccnn1Cc1cccs1)Cc1cccc(F)c1.
What is the InChIKey of 2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide?
The InChIKey is SABATUTZWFQPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4OS/c1-2-23(12-15-5-3-6-16(20)11-15)14-19(25)22-18-8-9-21-24(18)13-17-7-4-10-26-17/h3-11H,2,12-14H2,1H3,(H,22,25).
What are the key properties of 2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide?
2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide has a molecular weight of 372.47 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 36801943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).