(3-amino-1H-pyrazol-5-yl)-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methanone

C14H14Cl2N4O2 — CID 95556637

IUPAC(3-amino-1H-pyrazol-5-yl)-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methanone
SMILESNc1cc(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)[nH]n1
InChIInChI=1S/C14H14Cl2N4O2/c15-9-2-1-8(5-10(9)16)12-7-20(3-4-22-12)14(21)11-6-13(17)19-18-11/h1-2,5-6,12H,3-4,7H2,(H3,17,18,19)/t12-/m1/s1
InChIKeyRIWULJOCUMTJAZ-GFCCVEGCSA-N
MW341.20 g/mol
LogP2.51
Rot. Bonds2

About (3-amino-1H-pyrazol-5-yl)-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methanone

(3-amino-1H-pyrazol-5-yl)-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methanone (PubChem CID 95556637) has the molecular formula C14H14Cl2N4O2 and a molecular weight of 341.20 g/mol. Its IUPAC name is (3-amino-1H-pyrazol-5-yl)-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-amino-1H-pyrazol-5-yl)-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methanone
PubChem CID95556637
Molecular FormulaC14H14Cl2N4O2
Molecular Weight341.20 g/mol
Exact Mass340.05
IUPAC Name(3-amino-1H-pyrazol-5-yl)-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methanone
SMILESNc1cc(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)[nH]n1
InChIInChI=1S/C14H14Cl2N4O2/c15-9-2-1-8(5-10(9)16)12-7-20(3-4-22-12)14(21)11-6-13(17)19-18-11/h1-2,5-6,12H,3-4,7H2,(H3,17,18,19)/t12-/m1/s1
InChIKeyRIWULJOCUMTJAZ-GFCCVEGCSA-N
XLogP2.51
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-1H-pyrazol-5-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 56877212
(3-amino-1H-pyrazol-5-yl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 95556703
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone
CID 95174642
5-[(2S)-2-(3,4-dichlorophenyl)morpholine-4-carbonyl]-1,2-dihydropyrazol-3-one
CID 95468926
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(furan-2-yl)methanone
CID 110364303
(2-amino-1,3-benzothiazol-5-yl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone
CID 155501481
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(2-methylpyrimidin-5-yl)methanone
CID 95228845
(5-chloro-2-pyridinyl)-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methanone
CID 95217596
[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-pyridazin-3-ylmethanone
CID 95205403
[2-(4-chlorophenyl)morpholin-4-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
CID 74242341
[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 146123039
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(4-pyrazolidin-3-ylphenyl)methanone
CID 134080021

Frequently Asked Questions

What is the IUPAC name of (3-amino-1H-pyrazol-5-yl)-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methanone?
The IUPAC name of (3-amino-1H-pyrazol-5-yl)-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methanone (CID 95556637) is (3-amino-1H-pyrazol-5-yl)-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for (3-amino-1H-pyrazol-5-yl)-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methanone?
The canonical SMILES for (3-amino-1H-pyrazol-5-yl)-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methanone is Nc1cc(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)[nH]n1.
What is the InChIKey of (3-amino-1H-pyrazol-5-yl)-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methanone?
The InChIKey is RIWULJOCUMTJAZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H14Cl2N4O2/c15-9-2-1-8(5-10(9)16)12-7-20(3-4-22-12)14(21)11-6-13(17)19-18-11/h1-2,5-6,12H,3-4,7H2,(H3,17,18,19)/t12-/m1/s1.
What are the key properties of (3-amino-1H-pyrazol-5-yl)-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methanone?
(3-amino-1H-pyrazol-5-yl)-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methanone has a molecular weight of 341.20 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1H-pyrazol-5-yl)-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 95556637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).