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

C14H15ClN4O2 — CID 56877212

IUPAC(3-amino-1H-pyrazol-5-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone
SMILESNc1cc(C(=O)N2CCOC(c3ccc(Cl)cc3)C2)[nH]n1
InChIInChI=1S/C14H15ClN4O2/c15-10-3-1-9(2-4-10)12-8-19(5-6-21-12)14(20)11-7-13(16)18-17-11/h1-4,7,12H,5-6,8H2,(H3,16,17,18)
InChIKeyLGCOSULCKWFYNX-UHFFFAOYSA-N
MW306.75 g/mol
LogP1.86
Rot. Bonds2

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

(3-amino-1H-pyrazol-5-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone (PubChem CID 56877212) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is (3-amino-1H-pyrazol-5-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-amino-1H-pyrazol-5-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone
PubChem CID56877212
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name(3-amino-1H-pyrazol-5-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone
SMILESNc1cc(C(=O)N2CCOC(c3ccc(Cl)cc3)C2)[nH]n1
InChIInChI=1S/C14H15ClN4O2/c15-10-3-1-9(2-4-10)12-8-19(5-6-21-12)14(20)11-7-13(16)18-17-11/h1-4,7,12H,5-6,8H2,(H3,16,17,18)
InChIKeyLGCOSULCKWFYNX-UHFFFAOYSA-N
XLogP1.86
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-1H-pyrazol-5-yl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 95556703
(3-amino-1H-pyrazol-5-yl)-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methanone
CID 95556637
[2-(4-chlorophenyl)morpholin-4-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
CID 74242341
[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 94936140
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone
CID 95174642
[2-(4-chlorophenyl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 60552657
[2-(4-chlorophenyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone
CID 47341691
3-chloro-5-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 95554145
[2-(4-chlorophenyl)morpholin-4-yl]-(5-methyl-1H-imidazol-4-yl)methanone
CID 56758835
(5-chloro-1-benzofuran-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 134044267
[2-(4-fluorophenyl)morpholin-4-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 56750315
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936

Frequently Asked Questions

What is the IUPAC name of (3-amino-1H-pyrazol-5-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone?
The IUPAC name of (3-amino-1H-pyrazol-5-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone (CID 56877212) is (3-amino-1H-pyrazol-5-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for (3-amino-1H-pyrazol-5-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone?
The canonical SMILES for (3-amino-1H-pyrazol-5-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone is Nc1cc(C(=O)N2CCOC(c3ccc(Cl)cc3)C2)[nH]n1.
What is the InChIKey of (3-amino-1H-pyrazol-5-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone?
The InChIKey is LGCOSULCKWFYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c15-10-3-1-9(2-4-10)12-8-19(5-6-21-12)14(20)11-7-13(16)18-17-11/h1-4,7,12H,5-6,8H2,(H3,16,17,18).
What are the key properties of (3-amino-1H-pyrazol-5-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone?
(3-amino-1H-pyrazol-5-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone has a molecular weight of 306.75 g/mol, XLogP of 1.86, 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)-[2-(4-chlorophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 56877212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).