(2S)-4-[[1-(2,4-dichlorophenyl)pyrazol-3-yl]carbamoyl]morpholine-2-carboxylic acid

C15H14Cl2N4O4 — CID 164637700

IUPAC(2S)-4-[[1-(2,4-dichlorophenyl)pyrazol-3-yl]carbamoyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)CCO1
InChIInChI=1S/C15H14Cl2N4O4/c16-9-1-2-11(10(17)7-9)21-4-3-13(19-21)18-15(24)20-5-6-25-12(8-20)14(22)23/h1-4,7,12H,5-6,8H2,(H,22,23)(H,18,19,24)/t12-/m0/s1
InChIKeyJWOUBLSOFATRFB-LBPRGKRZSA-N
MW385.21 g/mol
LogP2.50
Rot. Bonds3

About (2S)-4-[[1-(2,4-dichlorophenyl)pyrazol-3-yl]carbamoyl]morpholine-2-carboxylic acid

(2S)-4-[[1-(2,4-dichlorophenyl)pyrazol-3-yl]carbamoyl]morpholine-2-carboxylic acid (PubChem CID 164637700) has the molecular formula C15H14Cl2N4O4 and a molecular weight of 385.21 g/mol. Its IUPAC name is (2S)-4-[[1-(2,4-dichlorophenyl)pyrazol-3-yl]carbamoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-[[1-(2,4-dichlorophenyl)pyrazol-3-yl]carbamoyl]morpholine-2-carboxylic acid
PubChem CID164637700
Molecular FormulaC15H14Cl2N4O4
Molecular Weight385.21 g/mol
Exact Mass384.04
IUPAC Name(2S)-4-[[1-(2,4-dichlorophenyl)pyrazol-3-yl]carbamoyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)CCO1
InChIInChI=1S/C15H14Cl2N4O4/c16-9-1-2-11(10(17)7-9)21-4-3-13(19-21)18-15(24)20-5-6-25-12(8-20)14(22)23/h1-4,7,12H,5-6,8H2,(H,22,23)(H,18,19,24)/t12-/m0/s1
InChIKeyJWOUBLSOFATRFB-LBPRGKRZSA-N
XLogP2.50
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.21
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-N-[1-(4-chlorophenyl)pyrazol-3-yl]-3-methyl-1,4-dioxane-2-carboxamide
CID 136586600
(2R)-N-[1-(2,4-dichlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 166238518
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
1-[1-(2,4-Dichlorophenyl)pyrazol-3-yl]-3-(3-hydroxypropyl)urea
CID 75441308
3-[1-(2,4-Dichlorophenyl)pyrazol-3-yl]-1-(1-hydroxypropan-2-yl)-1-methylurea
CID 75449168
3-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-1-[(2S)-1-hydroxypropan-2-yl]-1-methylurea
CID 97341268
3-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-1-[(2R)-1-hydroxypropan-2-yl]-1-methylurea
CID 97341269
3-[1-(2,4-Dichlorophenyl)pyrazol-3-yl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 109953706

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[1-(2,4-dichlorophenyl)pyrazol-3-yl]carbamoyl]morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-[[1-(2,4-dichlorophenyl)pyrazol-3-yl]carbamoyl]morpholine-2-carboxylic acid (CID 164637700) is (2S)-4-[[1-(2,4-dichlorophenyl)pyrazol-3-yl]carbamoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-[[1-(2,4-dichlorophenyl)pyrazol-3-yl]carbamoyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-[[1-(2,4-dichlorophenyl)pyrazol-3-yl]carbamoyl]morpholine-2-carboxylic acid is O=C(O)[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)CCO1.
What is the InChIKey of (2S)-4-[[1-(2,4-dichlorophenyl)pyrazol-3-yl]carbamoyl]morpholine-2-carboxylic acid?
The InChIKey is JWOUBLSOFATRFB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H14Cl2N4O4/c16-9-1-2-11(10(17)7-9)21-4-3-13(19-21)18-15(24)20-5-6-25-12(8-20)14(22)23/h1-4,7,12H,5-6,8H2,(H,22,23)(H,18,19,24)/t12-/m0/s1.
What are the key properties of (2S)-4-[[1-(2,4-dichlorophenyl)pyrazol-3-yl]carbamoyl]morpholine-2-carboxylic acid?
(2S)-4-[[1-(2,4-dichlorophenyl)pyrazol-3-yl]carbamoyl]morpholine-2-carboxylic acid has a molecular weight of 385.21 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[1-(2,4-dichlorophenyl)pyrazol-3-yl]carbamoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 164637700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).