2-(4-aminopyrazol-1-yl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide

C13H14Cl2N4O — CID 61116906

IUPAC2-(4-aminopyrazol-1-yl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)cc1Cl)C(=O)Cn1cc(N)cn1
InChIInChI=1S/C13H14Cl2N4O/c1-18(6-9-2-3-10(14)4-12(9)15)13(20)8-19-7-11(16)5-17-19/h2-5,7H,6,8,16H2,1H3
InChIKeyWLHKKSZZSVEYNX-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.43
Rot. Bonds4

About 2-(4-aminopyrazol-1-yl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide

2-(4-aminopyrazol-1-yl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide (PubChem CID 61116906) has the molecular formula C13H14Cl2N4O and a molecular weight of 313.19 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
PubChem CID61116906
Molecular FormulaC13H14Cl2N4O
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name2-(4-aminopyrazol-1-yl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)cc1Cl)C(=O)Cn1cc(N)cn1
InChIInChI=1S/C13H14Cl2N4O/c1-18(6-9-2-3-10(14)4-12(9)15)13(20)8-19-7-11(16)5-17-19/h2-5,7H,6,8,16H2,1H3
InChIKeyWLHKKSZZSVEYNX-UHFFFAOYSA-N
XLogP2.43
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide (CID 61116906) is 2-(4-aminopyrazol-1-yl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide is CN(Cc1ccc(Cl)cc1Cl)C(=O)Cn1cc(N)cn1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide?
The InChIKey is WLHKKSZZSVEYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O/c1-18(6-9-2-3-10(14)4-12(9)15)13(20)8-19-7-11(16)5-17-19/h2-5,7H,6,8,16H2,1H3.
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide?
2-(4-aminopyrazol-1-yl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide has a molecular weight of 313.19 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 61116906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).