2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide

C13H14Cl2N4O — CID 60931328

IUPAC2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(NCc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C13H14Cl2N4O/c1-16-13(20)8-19-7-11(6-18-19)17-5-9-2-3-10(14)4-12(9)15/h2-4,6-7,17H,5,8H2,1H3,(H,16,20)
InChIKeyYLAZOWWOBLQYHB-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.55
Rot. Bonds5

About 2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide

2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide (PubChem CID 60931328) has the molecular formula C13H14Cl2N4O and a molecular weight of 313.19 g/mol. Its IUPAC name is 2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
PubChem CID60931328
Molecular FormulaC13H14Cl2N4O
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(NCc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C13H14Cl2N4O/c1-16-13(20)8-19-7-11(6-18-19)17-5-9-2-3-10(14)4-12(9)15/h2-4,6-7,17H,5,8H2,1H3,(H,16,20)
InChIKeyYLAZOWWOBLQYHB-UHFFFAOYSA-N
XLogP2.55
TPSA58.95 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 ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]acetamide
CID 43695144
2-[4-[(2,4-difluorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 60931443
2-[4-[(3,5-dichlorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 60932423
2-[4-[(2,4-dichlorophenyl)methylamino]phenyl]-N-methylacetamide
CID 43713979
2-[4-[(5-chloro-2-fluorophenyl)methylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017147
N-methyl-2-[4-(pyrimidin-5-ylmethylamino)pyrazol-1-yl]acetamide
CID 62760481
2-[4-[(4-cyclopropylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 79968644
N-methyl-2-[4-[(3-methylfuran-2-yl)methylamino]pyrazol-1-yl]acetamide
CID 113243090
2-[4-[(5-bromofuran-2-yl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 54866454
2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 78928765
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloropyrazol-1-yl)acetamide
CID 19524964
4-amino-2-chloro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 61103330

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide (CID 60931328) is 2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide is CNC(=O)Cn1cc(NCc2ccc(Cl)cc2Cl)cn1.
What is the InChIKey of 2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide?
The InChIKey is YLAZOWWOBLQYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O/c1-16-13(20)8-19-7-11(6-18-19)17-5-9-2-3-10(14)4-12(9)15/h2-4,6-7,17H,5,8H2,1H3,(H,16,20).
What are the key properties of 2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide?
2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide has a molecular weight of 313.19 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 60931328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).