N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-[(2R)-2-(methoxymethyl)morpholin-4-yl]acetamide

C17H22Cl2N4O3 — CID 177061890

IUPACN-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-[(2R)-2-(methoxymethyl)morpholin-4-yl]acetamide
SMILESCOC[C@H]1CN(CC(=O)NC2=NN(c3ccc(Cl)c(Cl)c3)CC2)CCO1
InChIInChI=1S/C17H22Cl2N4O3/c1-25-11-13-9-22(6-7-26-13)10-17(24)20-16-4-5-23(21-16)12-2-3-14(18)15(19)8-12/h2-3,8,13H,4-7,9-11H2,1H3,(H,20,21,24)/t13-/m1/s1
InChIKeyKJCZJUXKFKKEAV-CYBMUJFWSA-N
MW401.29 g/mol
LogP1.98
Rot. Bonds5

About N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-[(2R)-2-(methoxymethyl)morpholin-4-yl]acetamide

N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-[(2R)-2-(methoxymethyl)morpholin-4-yl]acetamide (PubChem CID 177061890) has the molecular formula C17H22Cl2N4O3 and a molecular weight of 401.29 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-[(2R)-2-(methoxymethyl)morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-[(2R)-2-(methoxymethyl)morpholin-4-yl]acetamide
PubChem CID177061890
Molecular FormulaC17H22Cl2N4O3
Molecular Weight401.29 g/mol
Exact Mass400.11
IUPAC NameN-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-[(2R)-2-(methoxymethyl)morpholin-4-yl]acetamide
SMILESCOC[C@H]1CN(CC(=O)NC2=NN(c3ccc(Cl)c(Cl)c3)CC2)CCO1
InChIInChI=1S/C17H22Cl2N4O3/c1-25-11-13-9-22(6-7-26-13)10-17(24)20-16-4-5-23(21-16)12-2-3-14(18)15(19)8-12/h2-3,8,13H,4-7,9-11H2,1H3,(H,20,21,24)/t13-/m1/s1
InChIKeyKJCZJUXKFKKEAV-CYBMUJFWSA-N
XLogP1.98
TPSA66.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-[(2R)-2-(methoxymethyl)morpholin-4-yl]acetamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-[(2R)-2-(methoxymethyl)morpholin-4-yl]acetamide (CID 177061890) is N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-[(2R)-2-(methoxymethyl)morpholin-4-yl]acetamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-[(2R)-2-(methoxymethyl)morpholin-4-yl]acetamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-[(2R)-2-(methoxymethyl)morpholin-4-yl]acetamide is COC[C@H]1CN(CC(=O)NC2=NN(c3ccc(Cl)c(Cl)c3)CC2)CCO1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-[(2R)-2-(methoxymethyl)morpholin-4-yl]acetamide?
The InChIKey is KJCZJUXKFKKEAV-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22Cl2N4O3/c1-25-11-13-9-22(6-7-26-13)10-17(24)20-16-4-5-23(21-16)12-2-3-14(18)15(19)8-12/h2-3,8,13H,4-7,9-11H2,1H3,(H,20,21,24)/t13-/m1/s1.
What are the key properties of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-[(2R)-2-(methoxymethyl)morpholin-4-yl]acetamide?
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-[(2R)-2-(methoxymethyl)morpholin-4-yl]acetamide has a molecular weight of 401.29 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-[(2R)-2-(methoxymethyl)morpholin-4-yl]acetamide is sourced from PubChem (CID 177061890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).