N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine

C22H28N4O — CID 42380521

IUPACN-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine
SMILESCN(Cc1ccno1)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C22H28N4O/c1-25(16-21-12-13-23-27-21)14-20-15-26(2)24-22(20)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h8-13,15,17H,3-7,14,16H2,1-2H3
InChIKeyNFSHGDRINJOBTQ-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.75
Rot. Bonds6

About N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine

N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine (PubChem CID 42380521) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine
PubChem CID42380521
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC NameN-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine
SMILESCN(Cc1ccno1)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C22H28N4O/c1-25(16-21-12-13-23-27-21)14-20-15-26(2)24-22(20)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h8-13,15,17H,3-7,14,16H2,1-2H3
InChIKeyNFSHGDRINJOBTQ-UHFFFAOYSA-N
XLogP4.75
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 53622850
1-[3-(3-fluorophenyl)-1-(3-methylphenyl)-1H-pyrazol-4-yl]-N-(5-isoxazolylmethyl)-N-methylmethanamine
CID 28730007
1-[1-(2,4-difluorophenyl)-3-(2-methylphenyl)-1H-pyrazol-4-yl]-N-methyl-N-[(3-methyl-5-isoxazolyl)methyl]methanamine
CID 42415248
1-(5-isopropylisoxazol-3-yl)-N-methyl-N-[4-(1H-pyrazol-1-ylmethyl)benzyl]methanamine
CID 74231793
N,2,3-trimethyl-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]aniline
CID 126779130
4,5-dimethyl-3-[2-[4-phenyl-3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-2H-pyrimidin-1-yl]-1,2-oxazole
CID 154504066
1,4-Dimethyl-3-(trifluoromethyl)pyrazole;2,3-dimethyl-4-(trifluoromethyl)pyridine;5-methyl-1,2-oxazole
CID 157556999
N-methyl-1-(3-phenyl-5-isoxazolyl)-N-[3-(1H-pyrazol-1-ylmethyl)benzyl]methanamine
CID 56883486
4-(3-Methyl-5-isoxazolyl)-1-phenyl-3-(4-ethyl-phenyl)pyrazole
CID 56730856
1-[3-(3-fluorophenyl)-1-(3-methylphenyl)-1H-pyrazol-4-yl]-N-methyl-N-[(3-methyl-5-isoxazolyl)methyl]methanamine
CID 26328716
1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(5-isoxazolylmethyl)-N-methylmethanamine
CID 28223138
1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 36935980

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine?
The IUPAC name of N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine (CID 42380521) is N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine?
The canonical SMILES for N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine is CN(Cc1ccno1)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1.
What is the InChIKey of N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine?
The InChIKey is NFSHGDRINJOBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-25(16-21-12-13-23-27-21)14-20-15-26(2)24-22(20)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h8-13,15,17H,3-7,14,16H2,1-2H3.
What are the key properties of N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine?
N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine has a molecular weight of 364.49 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 42380521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).