1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one

C16H17Cl2N3O2 — CID 56743980

IUPAC1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
SMILESO=C(CCn1cccn1)N1CCOC(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H17Cl2N3O2/c17-13-3-2-12(10-14(13)18)15-11-20(8-9-23-15)16(22)4-7-21-6-1-5-19-21/h1-3,5-6,10,15H,4,7-9,11H2
InChIKeyNAJVANJATKURDN-UHFFFAOYSA-N
MW354.24 g/mol
LogP3.18
Rot. Bonds4

About 1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one

1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one (PubChem CID 56743980) has the molecular formula C16H17Cl2N3O2 and a molecular weight of 354.24 g/mol. Its IUPAC name is 1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
PubChem CID56743980
Molecular FormulaC16H17Cl2N3O2
Molecular Weight354.24 g/mol
Exact Mass353.07
IUPAC Name1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
SMILESO=C(CCn1cccn1)N1CCOC(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H17Cl2N3O2/c17-13-3-2-12(10-14(13)18)15-11-20(8-9-23-15)16(22)4-7-21-6-1-5-19-21/h1-3,5-6,10,15H,4,7-9,11H2
InChIKeyNAJVANJATKURDN-UHFFFAOYSA-N
XLogP3.18
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-4-pyrazol-1-ylbutan-1-one
CID 94393017
1-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
CID 95174623
1-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
CID 95174624
1-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 95180594
1-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
CID 95180794
1-[(2R)-2-isoquinolin-3-ylmorpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
CID 92576978
4-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentan-1-one
CID 120562102
1-[2-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
CID 127250796
1-[(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
CID 92578316
1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 110364311
3-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315236
2-(3,4-dichlorophenyl)-N-propylmorpholine-4-carboxamide
CID 110364326

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one?
The IUPAC name of 1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one (CID 56743980) is 1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one is O=C(CCn1cccn1)N1CCOC(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one?
The InChIKey is NAJVANJATKURDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O2/c17-13-3-2-12(10-14(13)18)15-11-20(8-9-23-15)16(22)4-7-21-6-1-5-19-21/h1-3,5-6,10,15H,4,7-9,11H2.
What are the key properties of 1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one?
1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one has a molecular weight of 354.24 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 56743980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).