2-[1-(4-fluorophenyl)ethyl-methylamino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide

C19H21FN4OS — CID 51287494

IUPAC2-[1-(4-fluorophenyl)ethyl-methylamino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
SMILESCC(c1ccc(F)cc1)N(C)CC(=O)Nc1ccnn1Cc1cccs1
InChIInChI=1S/C19H21FN4OS/c1-14(15-5-7-16(20)8-6-15)23(2)13-19(25)22-18-9-10-21-24(18)12-17-4-3-11-26-17/h3-11,14H,12-13H2,1-2H3,(H,22,25)
InChIKeyNTUTYOSMYICNTC-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.76
Rot. Bonds7

About 2-[1-(4-fluorophenyl)ethyl-methylamino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide

2-[1-(4-fluorophenyl)ethyl-methylamino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide (PubChem CID 51287494) has the molecular formula C19H21FN4OS and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)ethyl-methylamino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)ethyl-methylamino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
PubChem CID51287494
Molecular FormulaC19H21FN4OS
Molecular Weight372.47 g/mol
Exact Mass372.14
IUPAC Name2-[1-(4-fluorophenyl)ethyl-methylamino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
SMILESCC(c1ccc(F)cc1)N(C)CC(=O)Nc1ccnn1Cc1cccs1
InChIInChI=1S/C19H21FN4OS/c1-14(15-5-7-16(20)8-6-15)23(2)13-19(25)22-18-9-10-21-24(18)12-17-4-3-11-26-17/h3-11,14H,12-13H2,1-2H3,(H,22,25)
InChIKeyNTUTYOSMYICNTC-UHFFFAOYSA-N
XLogP3.76
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 36801943
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 51286651
2-amino-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 121209392
(2R)-2-(2-fluorophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide
CID 35672413
2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 87015681
2-(4-chlorophenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 8911690
N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-thiophen-2-ylacetamide
CID 86906675
2-(2-chlorophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide
CID 51064434
2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 86960309
4-methyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911642
N-(3-fluorophenyl)-2-[[(1R)-1-(4-fluorophenyl)ethyl]-methylamino]acetamide
CID 8846327
2-(4-bromophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 35673635

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)ethyl-methylamino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-[1-(4-fluorophenyl)ethyl-methylamino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide (CID 51287494) is 2-[1-(4-fluorophenyl)ethyl-methylamino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)ethyl-methylamino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)ethyl-methylamino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide is CC(c1ccc(F)cc1)N(C)CC(=O)Nc1ccnn1Cc1cccs1.
What is the InChIKey of 2-[1-(4-fluorophenyl)ethyl-methylamino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide?
The InChIKey is NTUTYOSMYICNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4OS/c1-14(15-5-7-16(20)8-6-15)23(2)13-19(25)22-18-9-10-21-24(18)12-17-4-3-11-26-17/h3-11,14H,12-13H2,1-2H3,(H,22,25).
What are the key properties of 2-[1-(4-fluorophenyl)ethyl-methylamino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide?
2-[1-(4-fluorophenyl)ethyl-methylamino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide has a molecular weight of 372.47 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)ethyl-methylamino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 51287494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).