(2R)-N-[1-(2,4-dichlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide;2,2,2-trifluoroacetic acid

C16H15Cl2F3N4O4 — CID 166238518

IUPAC(2R)-N-[1-(2,4-dichlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)[C@H]1CNCCO1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H14Cl2N4O2.C2HF3O2/c15-9-1-2-11(10(16)7-9)20-5-3-13(19-20)18-14(21)12-8-17-4-6-22-12;3-2(4,5)1(6)7/h1-3,5,7,12,17H,4,6,8H2,(H,18,19,21);(H,6,7)/t12-;/m1./s1
InChIKeyKORRMUJHOHSSAS-UTONKHPSSA-N
MW455.22 g/mol
LogP2.74
Rot. Bonds3

About (2R)-N-[1-(2,4-dichlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide;2,2,2-trifluoroacetic acid

(2R)-N-[1-(2,4-dichlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 166238518) has the molecular formula C16H15Cl2F3N4O4 and a molecular weight of 455.22 g/mol. Its IUPAC name is (2R)-N-[1-(2,4-dichlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2R)-N-[1-(2,4-dichlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID166238518
Molecular FormulaC16H15Cl2F3N4O4
Molecular Weight455.22 g/mol
Exact Mass454.04
IUPAC Name(2R)-N-[1-(2,4-dichlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)[C@H]1CNCCO1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H14Cl2N4O2.C2HF3O2/c15-9-1-2-11(10(16)7-9)20-5-3-13(19-20)18-14(21)12-8-17-4-6-22-12;3-2(4,5)1(6)7/h1-3,5,7,12,17H,4,6,8H2,(H,18,19,21);(H,6,7)/t12-;/m1./s1
InChIKeyKORRMUJHOHSSAS-UTONKHPSSA-N
XLogP2.74
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.22
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-4-[[1-(2,4-dichlorophenyl)pyrazol-3-yl]carbamoyl]morpholine-2-carboxylic acid
CID 164637700
3-amino-N-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-2,2-dimethylpropanamide;2,2,2-trifluoroacetic acid
CID 166238520
1-(2,4-dichlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]pyrazol-3-amine
CID 57705415
N-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 57705430
N-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-2-morpholin-4-ylacetamide
CID 57705477
N-[1-(3-chlorophenyl)pyrazol-3-yl]-2-morpholin-4-ylacetamide;oxalic acid
CID 67003987
N-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-2-morpholin-2-ylacetamide
CID 141183017
N-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-2-methoxyacetamide
CID 75441303
N-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-2-hydroxyacetamide
CID 109958868
N-[2-(3-chlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide;hydrochloride
CID 119773577
N-[2-(3-chlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide
CID 119773578
N-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-2-(ethoxymethyl)morpholine-4-carboxamide
CID 132321029

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(2,4-dichlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (2R)-N-[1-(2,4-dichlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 166238518) is (2R)-N-[1-(2,4-dichlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2R)-N-[1-(2,4-dichlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2R)-N-[1-(2,4-dichlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide;2,2,2-trifluoroacetic acid is O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)[C@H]1CNCCO1.O=C(O)C(F)(F)F.
What is the InChIKey of (2R)-N-[1-(2,4-dichlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is KORRMUJHOHSSAS-UTONKHPSSA-N. The full InChI is InChI=1S/C14H14Cl2N4O2.C2HF3O2/c15-9-1-2-11(10(16)7-9)20-5-3-13(19-20)18-14(21)12-8-17-4-6-22-12;3-2(4,5)1(6)7/h1-3,5,7,12,17H,4,6,8H2,(H,18,19,21);(H,6,7)/t12-;/m1./s1.
What are the key properties of (2R)-N-[1-(2,4-dichlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide;2,2,2-trifluoroacetic acid?
(2R)-N-[1-(2,4-dichlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 455.22 g/mol, XLogP of 2.74, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(2,4-dichlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166238518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).