N-[2-(difluoromethoxy)phenyl]-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide

C23H25F3N4O2 — CID 56539774

IUPACN-[2-(difluoromethoxy)phenyl]-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide
SMILESCC(C(=O)Nc1ccccc1OC(F)F)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C23H25F3N4O2/c1-15(22(31)27-19-7-3-4-8-21(19)32-23(25)26)30(2)13-5-6-18-14-20(29-28-18)16-9-11-17(24)12-10-16/h3-4,7-12,14-15,23H,5-6,13H2,1-2H3,(H,27,31)(H,28,29)
InChIKeyOQAQYPVWBKEGQH-UHFFFAOYSA-N
MW446.47 g/mol
LogP4.71
Rot. Bonds10

About N-[2-(difluoromethoxy)phenyl]-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide

N-[2-(difluoromethoxy)phenyl]-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide (PubChem CID 56539774) has the molecular formula C23H25F3N4O2 and a molecular weight of 446.47 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide
PubChem CID56539774
Molecular FormulaC23H25F3N4O2
Molecular Weight446.47 g/mol
Exact Mass446.19
IUPAC NameN-[2-(difluoromethoxy)phenyl]-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide
SMILESCC(C(=O)Nc1ccccc1OC(F)F)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C23H25F3N4O2/c1-15(22(31)27-19-7-3-4-8-21(19)32-23(25)26)30(2)13-5-6-18-14-20(29-28-18)16-9-11-17(24)12-10-16/h3-4,7-12,14-15,23H,5-6,13H2,1-2H3,(H,27,31)(H,28,29)
InChIKeyOQAQYPVWBKEGQH-UHFFFAOYSA-N
XLogP4.71
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(difluoromethoxy)phenyl]-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(difluoromethoxy)phenyl]-2-[methyl(3-phenoxypropyl)amino]propanamide
CID 46444363
2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-[(3-methoxyphenyl)methyl]propanamide
CID 56571156
N-[2-(difluoromethoxy)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide
CID 18094148
2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(1-phenylethyl)acetamide
CID 56539587
3-(3,4-dichlorophenyl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19513637
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1H-indazole-3-carboxamide
CID 86998733
3-(1,3-benzodioxol-5-yl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19513329
1-[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanoyl]piperidine-3-carboxamide
CID 56571157
2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(2-phenylethyl)acetamide
CID 56539392
(2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide
CID 61147422
3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 95139304
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyloxane-4-carboxamide
CID 86998711

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide (CID 56539774) is N-[2-(difluoromethoxy)phenyl]-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide is CC(C(=O)Nc1ccccc1OC(F)F)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide?
The InChIKey is OQAQYPVWBKEGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O2/c1-15(22(31)27-19-7-3-4-8-21(19)32-23(25)26)30(2)13-5-6-18-14-20(29-28-18)16-9-11-17(24)12-10-16/h3-4,7-12,14-15,23H,5-6,13H2,1-2H3,(H,27,31)(H,28,29).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide?
N-[2-(difluoromethoxy)phenyl]-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide has a molecular weight of 446.47 g/mol, XLogP of 4.71, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide is sourced from PubChem (CID 56539774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).