N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine

C22H21FN4O2 — CID 25367281

IUPACN-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2CN(C)Cc2ccno2)c(F)c1
InChIInChI=1S/C22H21FN4O2/c1-26(15-19-10-11-24-29-19)13-16-14-27(17-6-4-3-5-7-17)25-22(16)20-9-8-18(28-2)12-21(20)23/h3-12,14H,13,15H2,1-2H3
InChIKeyVVOLTWWGDFGJSW-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.31
Rot. Bonds7

About N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine

N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine (PubChem CID 25367281) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine
PubChem CID25367281
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC NameN-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2CN(C)Cc2ccno2)c(F)c1
InChIInChI=1S/C22H21FN4O2/c1-26(15-19-10-11-24-29-19)13-16-14-27(17-6-4-3-5-7-17)25-22(16)20-9-8-18(28-2)12-21(20)23/h3-12,14H,13,15H2,1-2H3
InChIKeyVVOLTWWGDFGJSW-UHFFFAOYSA-N
XLogP4.31
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1-(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

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-methylmethanamine
CID 25454592
N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine
CID 26331494
N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine
CID 28730007
N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
CID 42158119
4-[1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]morpholine
CID 29258599
3-ethyl-4-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-2-one
CID 45210363
7-methoxy-2-phenyl-4,5-dihydrobenzo[g]indazole
CID 11608814
4-fluoro-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 122398732
N-(3,5-dimethoxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 39791312
4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 67740433
1-[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 25370859
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methoxy-N-methylbenzamide
CID 18292471

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine?
The IUPAC name of N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine (CID 25367281) is N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine?
The canonical SMILES for N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine is COc1ccc(-c2nn(-c3ccccc3)cc2CN(C)Cc2ccno2)c(F)c1.
What is the InChIKey of N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine?
The InChIKey is VVOLTWWGDFGJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c1-26(15-19-10-11-24-29-19)13-16-14-27(17-6-4-3-5-7-17)25-22(16)20-9-8-18(28-2)12-21(20)23/h3-12,14H,13,15H2,1-2H3.
What are the key properties of N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine?
N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine has a molecular weight of 392.43 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 25367281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).