N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(3,4-dichlorophenyl)acetamide

C13H14Cl2N4O — CID 115319574

IUPACN-[2-(4-aminopyrazol-1-yl)ethyl]-2-(3,4-dichlorophenyl)acetamide
SMILESNc1cnn(CCNC(=O)Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C13H14Cl2N4O/c14-11-2-1-9(5-12(11)15)6-13(20)17-3-4-19-8-10(16)7-18-19/h1-2,5,7-8H,3-4,6,16H2,(H,17,20)
InChIKeyHTACGVIBWRGOCF-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.13
Rot. Bonds5

About N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(3,4-dichlorophenyl)acetamide

N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(3,4-dichlorophenyl)acetamide (PubChem CID 115319574) has the molecular formula C13H14Cl2N4O and a molecular weight of 313.19 g/mol. Its IUPAC name is N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-aminopyrazol-1-yl)ethyl]-2-(3,4-dichlorophenyl)acetamide
PubChem CID115319574
Molecular FormulaC13H14Cl2N4O
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC NameN-[2-(4-aminopyrazol-1-yl)ethyl]-2-(3,4-dichlorophenyl)acetamide
SMILESNc1cnn(CCNC(=O)Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C13H14Cl2N4O/c14-11-2-1-9(5-12(11)15)6-13(20)17-3-4-19-8-10(16)7-18-19/h1-2,5,7-8H,3-4,6,16H2,(H,17,20)
InChIKeyHTACGVIBWRGOCF-UHFFFAOYSA-N
XLogP2.13
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(2,6-difluorophenyl)acetamide
CID 115319698
N-[2-(4-aminopyrazol-1-yl)ethyl]-5-chloro-2-methylbenzamide
CID 82881102
N-[2-(4-aminopyrazol-1-yl)ethyl]-3-chloropyridine-4-carboxamide
CID 113285917
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(3-chlorophenoxy)acetamide
CID 115319643
1-[2-(4-aminopyrazol-1-yl)ethyl]-3-(3-chloro-4-methylphenyl)urea
CID 115319940
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-methylsulfonylacetamide
CID 115319573
N-[2-(4-aminopyrazol-1-yl)ethyl]benzamide
CID 115319572
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(3,4-dichlorophenyl)acetamide
CID 39302925
N-(3-aminopropyl)-2-(3,4-dichlorophenyl)acetamide;hydrochloride
CID 119407523
N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylpentanamide
CID 115319745
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,6-difluorobenzamide
CID 115319778
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-hydroxybenzamide
CID 115319755

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(3,4-dichlorophenyl)acetamide?
The IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(3,4-dichlorophenyl)acetamide (CID 115319574) is N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(3,4-dichlorophenyl)acetamide is Nc1cnn(CCNC(=O)Cc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(3,4-dichlorophenyl)acetamide?
The InChIKey is HTACGVIBWRGOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O/c14-11-2-1-9(5-12(11)15)6-13(20)17-3-4-19-8-10(16)7-18-19/h1-2,5,7-8H,3-4,6,16H2,(H,17,20).
What are the key properties of N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(3,4-dichlorophenyl)acetamide?
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(3,4-dichlorophenyl)acetamide has a molecular weight of 313.19 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 115319574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).