N-[(3-fluorophenyl)methyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide

C20H19FN4O2S — CID 126465127

IUPACN-[(3-fluorophenyl)methyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide
SMILESO=C(Cn1cc(NC(=O)CSc2ccccc2)cn1)NCc1cccc(F)c1
InChIInChI=1S/C20H19FN4O2S/c21-16-6-4-5-15(9-16)10-22-19(26)13-25-12-17(11-23-25)24-20(27)14-28-18-7-2-1-3-8-18/h1-9,11-12H,10,13-14H2,(H,22,26)(H,24,27)
InChIKeySWTZPDNLBSFIIV-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.07
Rot. Bonds8

About N-[(3-fluorophenyl)methyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide

N-[(3-fluorophenyl)methyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide (PubChem CID 126465127) has the molecular formula C20H19FN4O2S and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide
PubChem CID126465127
Molecular FormulaC20H19FN4O2S
Molecular Weight398.46 g/mol
Exact Mass398.12
IUPAC NameN-[(3-fluorophenyl)methyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide
SMILESO=C(Cn1cc(NC(=O)CSc2ccccc2)cn1)NCc1cccc(F)c1
InChIInChI=1S/C20H19FN4O2S/c21-16-6-4-5-15(9-16)10-22-19(26)13-25-12-17(11-23-25)24-20(27)14-28-18-7-2-1-3-8-18/h1-9,11-12H,10,13-14H2,(H,22,26)(H,24,27)
InChIKeySWTZPDNLBSFIIV-UHFFFAOYSA-N
XLogP3.07
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylsulfanylacetamide
CID 35521362
N-[2-(4-hydroxyphenyl)ethyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide
CID 42434531
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide
CID 26349215
N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 86926259
N-[(3-fluorophenyl)methyl]-3-phenylsulfanylpropanamide
CID 53279525
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 19526559
N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide
CID 26275525
1-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289938
2-anilino-N-[(3-fluorophenyl)methyl]acetamide
CID 54927417
2-[[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]carbamoyl]benzoic acid
CID 39853418
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530901
N-(4-fluorophenyl)-2-phenylsulfanylacetamide
CID 532041

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide (CID 126465127) is N-[(3-fluorophenyl)methyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide is O=C(Cn1cc(NC(=O)CSc2ccccc2)cn1)NCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide?
The InChIKey is SWTZPDNLBSFIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2S/c21-16-6-4-5-15(9-16)10-22-19(26)13-25-12-17(11-23-25)24-20(27)14-28-18-7-2-1-3-8-18/h1-9,11-12H,10,13-14H2,(H,22,26)(H,24,27).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide?
N-[(3-fluorophenyl)methyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide has a molecular weight of 398.46 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 126465127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).