N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-1,2-oxazol-5-yl)methanamine

C23H22F2N4O — CID 42415248

IUPACN-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-1,2-oxazol-5-yl)methanamine
SMILESCc1cc(CN(C)Cc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)on1
InChIInChI=1S/C23H22F2N4O/c1-15-6-4-5-7-20(15)23-17(12-28(3)14-19-10-16(2)27-30-19)13-29(26-23)22-9-8-18(24)11-21(22)25/h4-11,13H,12,14H2,1-3H3
InChIKeyZKGUCUZNWKMZHA-UHFFFAOYSA-N
MW408.45 g/mol
LogP5.05
Rot. Bonds6

About N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-1,2-oxazol-5-yl)methanamine

N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-1,2-oxazol-5-yl)methanamine (PubChem CID 42415248) has the molecular formula C23H22F2N4O and a molecular weight of 408.45 g/mol. Its IUPAC name is N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-1,2-oxazol-5-yl)methanamine
PubChem CID42415248
Molecular FormulaC23H22F2N4O
Molecular Weight408.45 g/mol
Exact Mass408.18
IUPAC NameN-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-1,2-oxazol-5-yl)methanamine
SMILESCc1cc(CN(C)Cc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)on1
InChIInChI=1S/C23H22F2N4O/c1-15-6-4-5-7-20(15)23-17(12-28(3)14-19-10-16(2)27-30-19)13-29(26-23)22-9-8-18(24)11-21(22)25/h4-11,13H,12,14H2,1-3H3
InChIKeyZKGUCUZNWKMZHA-UHFFFAOYSA-N
XLogP5.05
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.45
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-1,2-oxazol-5-yl)methanamine 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

3-Methyl-5-[(3-phenylindazol-1-yl)methyl]-1,2-oxazole
CID 73504348
4-[[6-[3-(Difluoromethyl)-4-fluorophenyl]pyrazolo[4,3-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 155388774
3-[[6-(4-Fluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 155388899
5-[[6-[3-(Difluoromethyl)-4-fluorophenyl]pyrazolo[4,3-b]pyridin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 155389179
5-[[6-(4-Fluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 155399969
N-{[3-(3-fluorophenyl)-1-(3-methylphenyl)-1H-pyrazol-4-yl]methyl}-1-(3-isoxazolyl)-N-methylethanamine
CID 45184402
2-(4-methylpyrazol-1-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 53624511
4-(3-Methyl-5-isoxazolyl)-1-phenyl-3-(4-fluoro-phenyl)pyrazole
CID 56730846
3-(3-(4-Fluorophenyl)-1-phenyl-1h-pyrazol-4-yl)-5-phenylisoxazole
CID 154702091
3-(3-(4-Fluorophenyl)-1-phenyl-1h-pyrazol-4-yl)-5-(p-tolyl)isoxazole
CID 154702101
5-(4-Fluorophenyl)-3-(3-(4-fluorophenyl)-1-phenyl-1h-pyrazol-4-yl)isoxazole
CID 154702113
5-(2,4-Difluorophenyl)-3-(3-(4-fluorophenyl)-1-phenyl-1h-pyrazol-4-yl)isoxazole
CID 154702124

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-1,2-oxazol-5-yl)methanamine?
The IUPAC name of N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-1,2-oxazol-5-yl)methanamine (CID 42415248) is N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-1,2-oxazol-5-yl)methanamine?
The canonical SMILES for N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-1,2-oxazol-5-yl)methanamine is Cc1cc(CN(C)Cc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)on1.
What is the InChIKey of N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-1,2-oxazol-5-yl)methanamine?
The InChIKey is ZKGUCUZNWKMZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O/c1-15-6-4-5-7-20(15)23-17(12-28(3)14-19-10-16(2)27-30-19)13-29(26-23)22-9-8-18(24)11-21(22)25/h4-11,13H,12,14H2,1-3H3.
What are the key properties of N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-1,2-oxazol-5-yl)methanamine?
N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-1,2-oxazol-5-yl)methanamine has a molecular weight of 408.45 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 42415248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).