N-[(2S)-1-aminopropan-2-yl]-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide

C16H20Cl2N4O — CID 120506491

IUPACN-[(2S)-1-aminopropan-2-yl]-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N[C@@H](C)CN
InChIInChI=1S/C16H20Cl2N4O/c1-9(8-19)20-16(23)7-13-10(2)21-22(11(13)3)15-5-4-12(17)6-14(15)18/h4-6,9H,7-8,19H2,1-3H3,(H,20,23)/t9-/m0/s1
InChIKeyPDBUSWSWTTVNEJ-VIFPVBQESA-N
MW355.27 g/mol
LogP2.80
Rot. Bonds5

About N-[(2S)-1-aminopropan-2-yl]-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide

N-[(2S)-1-aminopropan-2-yl]-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide (PubChem CID 120506491) has the molecular formula C16H20Cl2N4O and a molecular weight of 355.27 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
PubChem CID120506491
Molecular FormulaC16H20Cl2N4O
Molecular Weight355.27 g/mol
Exact Mass354.10
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N[C@@H](C)CN
InChIInChI=1S/C16H20Cl2N4O/c1-9(8-19)20-16(23)7-13-10(2)21-22(11(13)3)15-5-4-12(17)6-14(15)18/h4-6,9H,7-8,19H2,1-3H3,(H,20,23)/t9-/m0/s1
InChIKeyPDBUSWSWTTVNEJ-VIFPVBQESA-N
XLogP2.80
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide (CID 120506491) is N-[(2S)-1-aminopropan-2-yl]-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide is Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N[C@@H](C)CN.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The InChIKey is PDBUSWSWTTVNEJ-VIFPVBQESA-N. The full InChI is InChI=1S/C16H20Cl2N4O/c1-9(8-19)20-16(23)7-13-10(2)21-22(11(13)3)15-5-4-12(17)6-14(15)18/h4-6,9H,7-8,19H2,1-3H3,(H,20,23)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
N-[(2S)-1-aminopropan-2-yl]-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide has a molecular weight of 355.27 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide is sourced from PubChem (CID 120506491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).