[5-amino-1-(4-chlorophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone

C14H15ClN4O2 — CID 82188848

IUPAC[5-amino-1-(4-chlorophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESNc1cc(C(=O)N2CCOCC2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN4O2/c15-10-1-3-11(4-2-10)19-13(16)9-12(17-19)14(20)18-5-7-21-8-6-18/h1-4,9H,5-8,16H2
InChIKeyVWMOHFRLSLHILW-UHFFFAOYSA-N
MW306.75 g/mol
LogP1.58
Rot. Bonds2

About [5-amino-1-(4-chlorophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone

[5-amino-1-(4-chlorophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 82188848) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is [5-amino-1-(4-chlorophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-amino-1-(4-chlorophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
PubChem CID82188848
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name[5-amino-1-(4-chlorophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESNc1cc(C(=O)N2CCOCC2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN4O2/c15-10-1-3-11(4-2-10)19-13(16)9-12(17-19)14(20)18-5-7-21-8-6-18/h1-4,9H,5-8,16H2
InChIKeyVWMOHFRLSLHILW-UHFFFAOYSA-N
XLogP1.58
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(4-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-5-yl]benzenesulfonamide
CID 162668414
[5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 5128071
4-[5-(3-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155546386
[1-(3,4-dimethylphenyl)-5-methylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 110373271
[5-amino-1-(2-chlorophenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone
CID 82188857
(2-amino-5-chlorophenyl)-morpholin-4-ylmethanone
CID 16776415
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone;ethane
CID 144928448
[2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 53161116
[1-(4-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 43475319
(4-aminopiperidin-1-yl)-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]methanone;hydrochloride
CID 119376116
5-amino-1-(4-carboxyphenyl)pyrazole-3-carboxylic acid
CID 82589309
5-amino-1-(3-chlorophenyl)pyrazole-3-carboxylic acid
CID 82116964

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(4-chlorophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-amino-1-(4-chlorophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone (CID 82188848) is [5-amino-1-(4-chlorophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-amino-1-(4-chlorophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-amino-1-(4-chlorophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone is Nc1cc(C(=O)N2CCOCC2)nn1-c1ccc(Cl)cc1.
What is the InChIKey of [5-amino-1-(4-chlorophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is VWMOHFRLSLHILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c15-10-1-3-11(4-2-10)19-13(16)9-12(17-19)14(20)18-5-7-21-8-6-18/h1-4,9H,5-8,16H2.
What are the key properties of [5-amino-1-(4-chlorophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone?
[5-amino-1-(4-chlorophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 306.75 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(4-chlorophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 82188848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).