[5-(3-aminopropyl)-3-(2,5-difluorophenyl)-5-phenyl-4H-pyrazol-1-yl]-morpholin-4-ylmethanone

C23H26F2N4O2 — CID 10238126

IUPAC[5-(3-aminopropyl)-3-(2,5-difluorophenyl)-5-phenyl-4H-pyrazol-1-yl]-morpholin-4-ylmethanone
SMILESNCCCC1(c2ccccc2)CC(c2cc(F)ccc2F)=NN1C(=O)N1CCOCC1
InChIInChI=1S/C23H26F2N4O2/c24-18-7-8-20(25)19(15-18)21-16-23(9-4-10-26,17-5-2-1-3-6-17)29(27-21)22(30)28-11-13-31-14-12-28/h1-3,5-8,15H,4,9-14,16,26H2
InChIKeyVZEKPRMFWVRUJY-UHFFFAOYSA-N
MW428.48 g/mol
LogP3.46
Rot. Bonds5

About [5-(3-aminopropyl)-3-(2,5-difluorophenyl)-5-phenyl-4H-pyrazol-1-yl]-morpholin-4-ylmethanone

[5-(3-aminopropyl)-3-(2,5-difluorophenyl)-5-phenyl-4H-pyrazol-1-yl]-morpholin-4-ylmethanone (PubChem CID 10238126) has the molecular formula C23H26F2N4O2 and a molecular weight of 428.48 g/mol. Its IUPAC name is [5-(3-aminopropyl)-3-(2,5-difluorophenyl)-5-phenyl-4H-pyrazol-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(3-aminopropyl)-3-(2,5-difluorophenyl)-5-phenyl-4H-pyrazol-1-yl]-morpholin-4-ylmethanone
PubChem CID10238126
Molecular FormulaC23H26F2N4O2
Molecular Weight428.48 g/mol
Exact Mass428.20
IUPAC Name[5-(3-aminopropyl)-3-(2,5-difluorophenyl)-5-phenyl-4H-pyrazol-1-yl]-morpholin-4-ylmethanone
SMILESNCCCC1(c2ccccc2)CC(c2cc(F)ccc2F)=NN1C(=O)N1CCOCC1
InChIInChI=1S/C23H26F2N4O2/c24-18-7-8-20(25)19(15-18)21-16-23(9-4-10-26,17-5-2-1-3-6-17)29(27-21)22(30)28-11-13-31-14-12-28/h1-3,5-8,15H,4,9-14,16,26H2
InChIKeyVZEKPRMFWVRUJY-UHFFFAOYSA-N
XLogP3.46
TPSA71.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-(3-aminopropyl)-3-(2,5-difluorophenyl)-N-ethyl-5-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 23586165
4-[3-(2,5-difluorophenyl)-1-(ethylcarbamoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-5-yl]-N,N-dimethylbutanamine oxide
CID 10195027
5-[4-(Benzylamino)butyl]-3-(2,5-difluorophenyl)-n-ethyl-5-phenyl-4,5-dihydro-1h-pyrazole-1-carboxamide
CID 10195768
5-(3-Aminopropyl)-3-(2,5-difluorophenyl)-n-ethyl-5-phenyl-4,5-dihydro-1h-pyrazole-1-carboxamide
CID 10309476
3-[1-(Azetidin-1-ylcarbonyl)-3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydro-1h-pyrazol-5-yl]propan-1-amine
CID 10309662
3-(2,5-Difluorophenyl)-5-[4-(dimethylamino)butyl]-n-ethyl-5-phenyl-4,5-dihydro-1h-pyrazole-1-carboxamide
CID 10310151
(5S)-5-(3-aminopropyl)-3-(2,5-difluorophenyl)-N,N-dimethyl-5-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 15604796
5-(2-aminoethyl)-3-(2,5-difluorophenyl)-N-ethyl-5-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 24901503
5-(4-aminobutyl)-3-(2,5-difluorophenyl)-N-ethyl-5-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 24901504
5-(3-Amino-propyl)-3-(2,5-difluoro-phenyl)-5-phenyl-4,5-dihydro-pyrazole-1-carboxylic acid dimethylamide
CID 24901510
3-[3-(2,5-difluorophenyl)-5-phenyl-1-(pyrrolidin-1-ylcarbonyl)-4,5-dihydro-1H-pyrazol-5-yl]propan-1-amine
CID 24901511
3-[3-(2,5-difluorophenyl)-5-phenyl-1-(piperidin-1-ylcarbonyl)-4,5-dihydro-1H-pyrazol-5-yl]propan-1-amine
CID 24901512

Frequently Asked Questions

What is the IUPAC name of [5-(3-aminopropyl)-3-(2,5-difluorophenyl)-5-phenyl-4H-pyrazol-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(3-aminopropyl)-3-(2,5-difluorophenyl)-5-phenyl-4H-pyrazol-1-yl]-morpholin-4-ylmethanone (CID 10238126) is [5-(3-aminopropyl)-3-(2,5-difluorophenyl)-5-phenyl-4H-pyrazol-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(3-aminopropyl)-3-(2,5-difluorophenyl)-5-phenyl-4H-pyrazol-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(3-aminopropyl)-3-(2,5-difluorophenyl)-5-phenyl-4H-pyrazol-1-yl]-morpholin-4-ylmethanone is NCCCC1(c2ccccc2)CC(c2cc(F)ccc2F)=NN1C(=O)N1CCOCC1.
What is the InChIKey of [5-(3-aminopropyl)-3-(2,5-difluorophenyl)-5-phenyl-4H-pyrazol-1-yl]-morpholin-4-ylmethanone?
The InChIKey is VZEKPRMFWVRUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N4O2/c24-18-7-8-20(25)19(15-18)21-16-23(9-4-10-26,17-5-2-1-3-6-17)29(27-21)22(30)28-11-13-31-14-12-28/h1-3,5-8,15H,4,9-14,16,26H2.
What are the key properties of [5-(3-aminopropyl)-3-(2,5-difluorophenyl)-5-phenyl-4H-pyrazol-1-yl]-morpholin-4-ylmethanone?
[5-(3-aminopropyl)-3-(2,5-difluorophenyl)-5-phenyl-4H-pyrazol-1-yl]-morpholin-4-ylmethanone has a molecular weight of 428.48 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-aminopropyl)-3-(2,5-difluorophenyl)-5-phenyl-4H-pyrazol-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 10238126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).