morpholin-4-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone

C18H17N3O2S — CID 2140148

IUPACmorpholin-4-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
SMILESO=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCOCC1
InChIInChI=1S/C18H17N3O2S/c22-18(20-8-10-23-11-9-20)15-13-21(14-5-2-1-3-6-14)19-17(15)16-7-4-12-24-16/h1-7,12-13H,8-11H2
InChIKeyYFCFRIAEFMJFQT-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.07
Rot. Bonds3

About morpholin-4-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone

morpholin-4-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone (PubChem CID 2140148) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is morpholin-4-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
PubChem CID2140148
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Namemorpholin-4-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
SMILESO=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCOCC1
InChIInChI=1S/C18H17N3O2S/c22-18(20-8-10-23-11-9-20)15-13-21(14-5-2-1-3-6-14)19-17(15)16-7-4-12-24-16/h1-7,12-13H,8-11H2
InChIKeyYFCFRIAEFMJFQT-UHFFFAOYSA-N
XLogP3.07
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Phenyl-3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde
CID 620226
N-benzyl-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2529430
phenyl[3-(2-thienyl)-1H-pyrazol-1-yl]methanone
CID 2814851
(4-Phenylpiperazin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 2312348
N-(2-morpholin-4-ylethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2327183
N-[4-(dimethylamino)phenyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide
CID 2336084
1-phenyl-N-(pyridin-3-yl)-3-(thiophen-2-yl)-1H-pyrazole-4-carboxamide
CID 2999058
1-phenyl-N-(pyridin-4-yl)-3-(thiophen-2-yl)-1H-pyrazole-4-carboxamide
CID 5161671
N-(3-morpholinopropyl)-4-(5-(thiophen-2-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzamide
CID 1741763
(Z)-2-(Morpholine-4-carbonyl)-3-[1-phenyl-3-(4-propylsulfanyl-phenyl)-1H-pyrazol-4-yl]-acrylonitrile
CID 1874996
4-{3-[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]acryloyl}morpholine
CID 2176100
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide
CID 2329736

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone?
The IUPAC name of morpholin-4-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone (CID 2140148) is morpholin-4-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for morpholin-4-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for morpholin-4-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone is O=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone?
The InChIKey is YFCFRIAEFMJFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-18(20-8-10-23-11-9-20)15-13-21(14-5-2-1-3-6-14)19-17(15)16-7-4-12-24-16/h1-7,12-13H,8-11H2.
What are the key properties of morpholin-4-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone?
morpholin-4-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone has a molecular weight of 339.42 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 2140148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).