2-[(3R)-4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone

C17H19N3O3S — CID 124608812

IUPAC2-[(3R)-4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone
SMILESO=C(C[C@@H]1COCCN1C(=O)c1cc(C2CC2)[nH]n1)c1cccs1
InChIInChI=1S/C17H19N3O3S/c21-15(16-2-1-7-24-16)8-12-10-23-6-5-20(12)17(22)14-9-13(18-19-14)11-3-4-11/h1-2,7,9,11-12H,3-6,8,10H2,(H,18,19)/t12-/m1/s1
InChIKeyVUNLQYBAZDPVRU-GFCCVEGCSA-N
MW345.42 g/mol
LogP2.46
Rot. Bonds5

About 2-[(3R)-4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone

2-[(3R)-4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone (PubChem CID 124608812) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-[(3R)-4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[(3R)-4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone
PubChem CID124608812
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name2-[(3R)-4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone
SMILESO=C(C[C@@H]1COCCN1C(=O)c1cc(C2CC2)[nH]n1)c1cccs1
InChIInChI=1S/C17H19N3O3S/c21-15(16-2-1-7-24-16)8-12-10-23-6-5-20(12)17(22)14-9-13(18-19-14)11-3-4-11/h1-2,7,9,11-12H,3-6,8,10H2,(H,18,19)/t12-/m1/s1
InChIKeyVUNLQYBAZDPVRU-GFCCVEGCSA-N
XLogP2.46
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R)-4-(1H-indole-2-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone
CID 95975192
1-thiophen-2-yl-2-[4-(trimethylsilylmethyl)morpholin-3-yl]ethanone
CID 75478811
2-[4-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone
CID 122143504
2-[(3R)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
CID 99699245
2-[(3S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
CID 99699244
5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide
CID 91628866
N-[[4-(5-cyclobutyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]methyl]-3-(4-fluorophenyl)propanamide
CID 155964497
2-[(3R)-4-(3-hydroxypropyl)morpholin-3-yl]-1-thiophen-2-ylethanone
CID 99579369
2-[(3S)-4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
CID 99578863
2-[4-[(2,6-dimethyl-3-pyridinyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
CID 119034502
1-[(3R)-3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
CID 96535302
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone
CID 95209630

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone?
The IUPAC name of 2-[(3R)-4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone (CID 124608812) is 2-[(3R)-4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[(3R)-4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[(3R)-4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone is O=C(C[C@@H]1COCCN1C(=O)c1cc(C2CC2)[nH]n1)c1cccs1.
What is the InChIKey of 2-[(3R)-4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone?
The InChIKey is VUNLQYBAZDPVRU-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19N3O3S/c21-15(16-2-1-7-24-16)8-12-10-23-6-5-20(12)17(22)14-9-13(18-19-14)11-3-4-11/h1-2,7,9,11-12H,3-6,8,10H2,(H,18,19)/t12-/m1/s1.
What are the key properties of 2-[(3R)-4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone?
2-[(3R)-4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone has a molecular weight of 345.42 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone is sourced from PubChem (CID 124608812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).