N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide

C24H24N6O2S — CID 26275525

IUPACN-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide
SMILESC[C@@H](NC(=O)Cn1cc(NC(=O)CSc2ccccc2)cn1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C24H24N6O2S/c1-18(19-12-26-30(14-19)21-8-4-2-5-9-21)27-23(31)16-29-15-20(13-25-29)28-24(32)17-33-22-10-6-3-7-11-22/h2-15,18H,16-17H2,1H3,(H,27,31)(H,28,32)/t18-/m1/s1
InChIKeyBZOOSPPMLXQEOL-GOSISDBHSA-N
MW460.56 g/mol
LogP3.68
Rot. Bonds9

About N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide

N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide (PubChem CID 26275525) has the molecular formula C24H24N6O2S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide
PubChem CID26275525
Molecular FormulaC24H24N6O2S
Molecular Weight460.56 g/mol
Exact Mass460.17
IUPAC NameN-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide
SMILESC[C@@H](NC(=O)Cn1cc(NC(=O)CSc2ccccc2)cn1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C24H24N6O2S/c1-18(19-12-26-30(14-19)21-8-4-2-5-9-21)27-23(31)16-29-15-20(13-25-29)28-24(32)17-33-22-10-6-3-7-11-22/h2-15,18H,16-17H2,1H3,(H,27,31)(H,28,32)/t18-/m1/s1
InChIKeyBZOOSPPMLXQEOL-GOSISDBHSA-N
XLogP3.68
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 25296478
N-[(3-fluorophenyl)methyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide
CID 126465127
1-ethyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyrazol-4-amine
CID 81472831
3-methyl-5-oxo-5-[(1-phenylpyrazol-4-yl)amino]pentanoic acid
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N-[2-(4-hydroxyphenyl)ethyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide
CID 42434531
2-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol
CID 81343823
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylsulfanylacetamide
CID 35521362
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
4-(azepan-1-yl)-4-oxo-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]butanamide
CID 99983340
2-(4-bromopyrazol-1-yl)-N-(1-phenylethyl)acetamide
CID 19524551
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide
CID 26349215
2-[1-(1-phenylpyrazol-4-yl)ethylamino]acetamide
CID 81470640

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide?
The IUPAC name of N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide (CID 26275525) is N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide?
The canonical SMILES for N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide is C[C@@H](NC(=O)Cn1cc(NC(=O)CSc2ccccc2)cn1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide?
The InChIKey is BZOOSPPMLXQEOL-GOSISDBHSA-N. The full InChI is InChI=1S/C24H24N6O2S/c1-18(19-12-26-30(14-19)21-8-4-2-5-9-21)27-23(31)16-29-15-20(13-25-29)28-24(32)17-33-22-10-6-3-7-11-22/h2-15,18H,16-17H2,1H3,(H,27,31)(H,28,32)/t18-/m1/s1.
What are the key properties of N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide?
N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide has a molecular weight of 460.56 g/mol, XLogP of 3.68, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 26275525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).