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

C22H21FN4O — CID 28730007

IUPACN-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine
SMILESCc1cccc(-n2cc(CN(C)Cc3ccno3)c(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C22H21FN4O/c1-16-5-3-8-20(11-16)27-14-18(13-26(2)15-21-9-10-24-28-21)22(25-27)17-6-4-7-19(23)12-17/h3-12,14H,13,15H2,1-2H3
InChIKeyOSIHMIMUZQQURG-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.61
Rot. Bonds6

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

N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine (PubChem CID 28730007) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine
PubChem CID28730007
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC NameN-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine
SMILESCc1cccc(-n2cc(CN(C)Cc3ccno3)c(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C22H21FN4O/c1-16-5-3-8-20(11-16)27-14-18(13-26(2)15-21-9-10-24-28-21)22(25-27)17-6-4-7-19(23)12-17/h3-12,14H,13,15H2,1-2H3
InChIKeyOSIHMIMUZQQURG-UHFFFAOYSA-N
XLogP4.61
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine
CID 29151070
2-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl-propan-2-ylamino]ethanol
CID 25378437
(1R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 42462698
(3R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N,1-dimethylpyrrolidin-3-amine
CID 95892061
(4S)-1-ethyl-4-[[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl-methylamino]methyl]pyrrolidin-2-one
CID 25460197
N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine
CID 25367281
4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methylamino]cyclohexan-1-ol
CID 42215151
[3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanamine
CID 28910823
[(3R)-4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]morpholin-3-yl]methanol
CID 95873525
[4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]morpholin-3-yl]methanol
CID 70747526
4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-1-methylpiperazin-2-one
CID 70768807
1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine
CID 42567707

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine?
The IUPAC name of N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine (CID 28730007) is N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine?
The canonical SMILES for N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine is Cc1cccc(-n2cc(CN(C)Cc3ccno3)c(-c3cccc(F)c3)n2)c1.
What is the InChIKey of N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine?
The InChIKey is OSIHMIMUZQQURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c1-16-5-3-8-20(11-16)27-14-18(13-26(2)15-21-9-10-24-28-21)22(25-27)17-6-4-7-19(23)12-17/h3-12,14H,13,15H2,1-2H3.
What are the key properties of N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine?
N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine has a molecular weight of 376.44 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 28730007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).