1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-3-morpholin-4-ylpropan-1-one

C20H22ClN3O3 — CID 71779743

IUPAC1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-3-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCOCC1)N1N=C(c2ccco2)CC1c1cccc(Cl)c1
InChIInChI=1S/C20H22ClN3O3/c21-16-4-1-3-15(13-16)18-14-17(19-5-2-10-27-19)22-24(18)20(25)6-7-23-8-11-26-12-9-23/h1-5,10,13,18H,6-9,11-12,14H2
InChIKeyBDYLUJFVUJMVNF-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.33
Rot. Bonds5

About 1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-3-morpholin-4-ylpropan-1-one

1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-3-morpholin-4-ylpropan-1-one (PubChem CID 71779743) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-3-morpholin-4-ylpropan-1-one
PubChem CID71779743
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-3-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCOCC1)N1N=C(c2ccco2)CC1c1cccc(Cl)c1
InChIInChI=1S/C20H22ClN3O3/c21-16-4-1-3-15(13-16)18-14-17(19-5-2-10-27-19)22-24(18)20(25)6-7-23-8-11-26-12-9-23/h1-5,10,13,18H,6-9,11-12,14H2
InChIKeyBDYLUJFVUJMVNF-UHFFFAOYSA-N
XLogP3.33
TPSA58.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-3-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-3-morpholin-4-ylpropan-1-one (CID 71779743) is 1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-3-morpholin-4-ylpropan-1-one is O=C(CCN1CCOCC1)N1N=C(c2ccco2)CC1c1cccc(Cl)c1.
What is the InChIKey of 1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-3-morpholin-4-ylpropan-1-one?
The InChIKey is BDYLUJFVUJMVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c21-16-4-1-3-15(13-16)18-14-17(19-5-2-10-27-19)22-24(18)20(25)6-7-23-8-11-26-12-9-23/h1-5,10,13,18H,6-9,11-12,14H2.
What are the key properties of 1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-3-morpholin-4-ylpropan-1-one?
1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-3-morpholin-4-ylpropan-1-one has a molecular weight of 387.87 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 71779743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).