N-[1-[2-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide

C19H22Cl2N4O4 — CID 178043685

IUPACN-[1-[2-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide
SMILESCN(CCOc1ccc(Cl)cc1Cl)C(=O)Cn1cc(NC(=O)C2CCCO2)cn1
InChIInChI=1S/C19H22Cl2N4O4/c1-24(6-8-29-16-5-4-13(20)9-15(16)21)18(26)12-25-11-14(10-22-25)23-19(27)17-3-2-7-28-17/h4-5,9-11,17H,2-3,6-8,12H2,1H3,(H,23,27)
InChIKeyWWBGBJKXZDVPQH-UHFFFAOYSA-N
MW441.32 g/mol
LogP2.84
Rot. Bonds8

About N-[1-[2-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide

N-[1-[2-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide (PubChem CID 178043685) has the molecular formula C19H22Cl2N4O4 and a molecular weight of 441.32 g/mol. Its IUPAC name is N-[1-[2-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide
PubChem CID178043685
Molecular FormulaC19H22Cl2N4O4
Molecular Weight441.32 g/mol
Exact Mass440.10
IUPAC NameN-[1-[2-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide
SMILESCN(CCOc1ccc(Cl)cc1Cl)C(=O)Cn1cc(NC(=O)C2CCCO2)cn1
InChIInChI=1S/C19H22Cl2N4O4/c1-24(6-8-29-16-5-4-13(20)9-15(16)21)18(26)12-25-11-14(10-22-25)23-19(27)17-3-2-7-28-17/h4-5,9-11,17H,2-3,6-8,12H2,1H3,(H,23,27)
InChIKeyWWBGBJKXZDVPQH-UHFFFAOYSA-N
XLogP2.84
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 178043641
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 71993905
(2R)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 35593011
methyl 2-[4-[[(2S)-oxolane-2-carbonyl]amino]pyrazol-1-yl]acetate
CID 93440590
ethane;4-methyl-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 178043698
4-[benzyl(methyl)amino]-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 178043622
(2S)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 35277538
N-(1-tert-butylpyrazol-4-yl)oxolane-2-carboxamide
CID 47463711
N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3-(pyridin-4-ylamino)cyclobutane-1-carboxamide
CID 171654882
4-(2,4-dichlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]butanamide
CID 17330428
4-(2,4-dichlorophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)butanamide
CID 60568779
3-(2-fluorophenoxy)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide
CID 166148005

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide?
The IUPAC name of N-[1-[2-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide (CID 178043685) is N-[1-[2-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[1-[2-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[1-[2-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide is CN(CCOc1ccc(Cl)cc1Cl)C(=O)Cn1cc(NC(=O)C2CCCO2)cn1.
What is the InChIKey of N-[1-[2-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide?
The InChIKey is WWBGBJKXZDVPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N4O4/c1-24(6-8-29-16-5-4-13(20)9-15(16)21)18(26)12-25-11-14(10-22-25)23-19(27)17-3-2-7-28-17/h4-5,9-11,17H,2-3,6-8,12H2,1H3,(H,23,27).
What are the key properties of N-[1-[2-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide?
N-[1-[2-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide has a molecular weight of 441.32 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide is sourced from PubChem (CID 178043685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).