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

C12H12Cl2N4O — CID 43695144

IUPAC2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(NCc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C12H12Cl2N4O/c13-9-2-1-8(11(14)3-9)4-16-10-5-17-18(6-10)7-12(15)19/h1-3,5-6,16H,4,7H2,(H2,15,19)
InChIKeyNJFQQEHXNHKAAW-UHFFFAOYSA-N
MW299.16 g/mol
LogP2.29
Rot. Bonds5

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

2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]acetamide (PubChem CID 43695144) has the molecular formula C12H12Cl2N4O and a molecular weight of 299.16 g/mol. Its IUPAC name is 2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]acetamide
PubChem CID43695144
Molecular FormulaC12H12Cl2N4O
Molecular Weight299.16 g/mol
Exact Mass298.04
IUPAC Name2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(NCc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C12H12Cl2N4O/c13-9-2-1-8(11(14)3-9)4-16-10-5-17-18(6-10)7-12(15)19/h1-3,5-6,16H,4,7H2,(H2,15,19)
InChIKeyNJFQQEHXNHKAAW-UHFFFAOYSA-N
XLogP2.29
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 60931328
2-[4-[(3-fluoro-2-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide
CID 112606480
2-[4-[(3-chloro-4-methylphenyl)methylamino]pyrazol-1-yl]acetamide
CID 106816369
2-[4-[(2-hydroxy-4-methoxyphenyl)methylamino]pyrazol-1-yl]acetamide
CID 61263067
2-[4-[(5-chloro-2-fluorophenyl)methylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017147
2-[4-[(7-chloro-1,3-benzodioxol-5-yl)methylamino]pyrazol-1-yl]acetamide
CID 43695202
2-[4-[(4-ethylphenyl)methylamino]pyrazol-1-yl]acetamide
CID 43695116
2-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide
CID 43695305
2-[4-(quinolin-4-ylmethylamino)pyrazol-1-yl]acetamide
CID 63868237
2-[4-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]pyrazol-1-yl]acetamide
CID 43695324
2-[4-[(4-tert-butylphenyl)methylamino]pyrazol-1-yl]acetamide
CID 43695086
2-[4-(1,3-benzodioxol-4-ylmethylamino)pyrazol-1-yl]acetamide
CID 43695077

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]acetamide (CID 43695144) is 2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]acetamide is NC(=O)Cn1cc(NCc2ccc(Cl)cc2Cl)cn1.
What is the InChIKey of 2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]acetamide?
The InChIKey is NJFQQEHXNHKAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O/c13-9-2-1-8(11(14)3-9)4-16-10-5-17-18(6-10)7-12(15)19/h1-3,5-6,16H,4,7H2,(H2,15,19).
What are the key properties of 2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]acetamide?
2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]acetamide has a molecular weight of 299.16 g/mol, XLogP of 2.29, 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]acetamide is sourced from PubChem (CID 43695144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).