methyl 2-(3,5-dichlorophenyl)-2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]acetate

C15H16Cl2N4O3 — CID 166214329

IUPACmethyl 2-(3,5-dichlorophenyl)-2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]acetate
SMILESCNC(=O)Cn1cc(NC(C(=O)OC)c2cc(Cl)cc(Cl)c2)cn1
InChIInChI=1S/C15H16Cl2N4O3/c1-18-13(22)8-21-7-12(6-19-21)20-14(15(23)24-2)9-3-10(16)5-11(17)4-9/h3-7,14,20H,8H2,1-2H3,(H,18,22)
InChIKeyGMIPIAPTZSNRAN-UHFFFAOYSA-N
MW371.22 g/mol
LogP2.26
Rot. Bonds6

About methyl 2-(3,5-dichlorophenyl)-2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]acetate

methyl 2-(3,5-dichlorophenyl)-2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]acetate (PubChem CID 166214329) has the molecular formula C15H16Cl2N4O3 and a molecular weight of 371.22 g/mol. Its IUPAC name is methyl 2-(3,5-dichlorophenyl)-2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-(3,5-dichlorophenyl)-2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]acetate
PubChem CID166214329
Molecular FormulaC15H16Cl2N4O3
Molecular Weight371.22 g/mol
Exact Mass370.06
IUPAC Namemethyl 2-(3,5-dichlorophenyl)-2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]acetate
SMILESCNC(=O)Cn1cc(NC(C(=O)OC)c2cc(Cl)cc(Cl)c2)cn1
InChIInChI=1S/C15H16Cl2N4O3/c1-18-13(22)8-21-7-12(6-19-21)20-14(15(23)24-2)9-3-10(16)5-11(17)4-9/h3-7,14,20H,8H2,1-2H3,(H,18,22)
InChIKeyGMIPIAPTZSNRAN-UHFFFAOYSA-N
XLogP2.26
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.22
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(3,5-dichlorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 60932423
2-[4-(3-methoxybutan-2-ylamino)pyrazol-1-yl]-N-methylacetamide
CID 113354708
2-[4-(1-methoxypropan-2-ylamino)pyrazol-1-yl]-N-methylacetamide
CID 62534727
2-[4-[1-(4-hydroxyphenyl)ethylamino]pyrazol-1-yl]-N-methylacetamide
CID 60932192
N-methyl-2-[4-(1-pyridin-4-ylethylamino)pyrazol-1-yl]acetamide
CID 54866547
2-[4-[1-(4-bromophenyl)ethylamino]pyrazol-1-yl]-N-methylacetamide
CID 60931333
N-methyl-2-[4-[(2-methyl-1-phenylpropyl)amino]pyrazol-1-yl]acetamide
CID 60932420
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
CID 60946190
N-methyl-2-[4-[1-(1-methylcyclopropyl)ethylamino]pyrazol-1-yl]acetamide
CID 54866432
methyl 2-(3-bromophenyl)-2-[(1-ethylpyrazol-4-yl)amino]acetate
CID 86791823
2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 60931328
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 54863171

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,5-dichlorophenyl)-2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]acetate?
The IUPAC name of methyl 2-(3,5-dichlorophenyl)-2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]acetate (CID 166214329) is methyl 2-(3,5-dichlorophenyl)-2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]acetate.
What is the SMILES notation for methyl 2-(3,5-dichlorophenyl)-2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]acetate?
The canonical SMILES for methyl 2-(3,5-dichlorophenyl)-2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]acetate is CNC(=O)Cn1cc(NC(C(=O)OC)c2cc(Cl)cc(Cl)c2)cn1.
What is the InChIKey of methyl 2-(3,5-dichlorophenyl)-2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]acetate?
The InChIKey is GMIPIAPTZSNRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O3/c1-18-13(22)8-21-7-12(6-19-21)20-14(15(23)24-2)9-3-10(16)5-11(17)4-9/h3-7,14,20H,8H2,1-2H3,(H,18,22).
What are the key properties of methyl 2-(3,5-dichlorophenyl)-2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]acetate?
methyl 2-(3,5-dichlorophenyl)-2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]acetate has a molecular weight of 371.22 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,5-dichlorophenyl)-2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]acetate is sourced from PubChem (CID 166214329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).