2-morpholin-4-yl-1-[(3S)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone

C25H25N3O2 — CID 2089248

IUPAC2-morpholin-4-yl-1-[(3S)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone
SMILESO=C(CN1CCOCC1)N1NC(c2ccc3ccccc3c2)=C[C@H]1c1ccccc1
InChIInChI=1S/C25H25N3O2/c29-25(18-27-12-14-30-15-13-27)28-24(20-7-2-1-3-8-20)17-23(26-28)22-11-10-19-6-4-5-9-21(19)16-22/h1-11,16-17,24,26H,12-15,18H2/t24-/m0/s1
InChIKeyNJFNUTQQSHMPRP-DEOSSOPVSA-N
MW399.49 g/mol
LogP3.60
Rot. Bonds4

About 2-morpholin-4-yl-1-[(3S)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone

2-morpholin-4-yl-1-[(3S)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone (PubChem CID 2089248) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-[(3S)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name2-morpholin-4-yl-1-[(3S)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone
PubChem CID2089248
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name2-morpholin-4-yl-1-[(3S)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone
SMILESO=C(CN1CCOCC1)N1NC(c2ccc3ccccc3c2)=C[C@H]1c1ccccc1
InChIInChI=1S/C25H25N3O2/c29-25(18-27-12-14-30-15-13-27)28-24(20-7-2-1-3-8-20)17-23(26-28)22-11-10-19-6-4-5-9-21(19)16-22/h1-11,16-17,24,26H,12-15,18H2/t24-/m0/s1
InChIKeyNJFNUTQQSHMPRP-DEOSSOPVSA-N
XLogP3.60
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-morpholin-4-ylacetyl)-4-phenylpyrrolidin-2-one
CID 5143048
(4R)-1-(2-morpholin-4-ylacetyl)-4-phenylpyrrolidin-2-one
CID 30449204
N-benzyl-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide
CID 24664690
phenanthren-3-yl 2-morpholin-4-ylacetate
CID 150233502
2-morpholin-4-yl-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
CID 8903869
ethyl 2-[2-[2-[(3R)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-1,3-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 2443402
3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one
CID 2807050
1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 97110715
2-morpholin-4-yl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)acetamide
CID 25211123
1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 55496052
1-[(3S)-3-(1,3-benzodioxol-5-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
CID 93228959
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-[(3R)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone
CID 2037218

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1-[(3S)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 2-morpholin-4-yl-1-[(3S)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone (CID 2089248) is 2-morpholin-4-yl-1-[(3S)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 2-morpholin-4-yl-1-[(3S)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 2-morpholin-4-yl-1-[(3S)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone is O=C(CN1CCOCC1)N1NC(c2ccc3ccccc3c2)=C[C@H]1c1ccccc1.
What is the InChIKey of 2-morpholin-4-yl-1-[(3S)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone?
The InChIKey is NJFNUTQQSHMPRP-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H25N3O2/c29-25(18-27-12-14-30-15-13-27)28-24(20-7-2-1-3-8-20)17-23(26-28)22-11-10-19-6-4-5-9-21(19)16-22/h1-11,16-17,24,26H,12-15,18H2/t24-/m0/s1.
What are the key properties of 2-morpholin-4-yl-1-[(3S)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone?
2-morpholin-4-yl-1-[(3S)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone has a molecular weight of 399.49 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1-[(3S)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 2089248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).