N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide

C20H24N4O2 — CID 47865061

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)NCc3c(C)noc3C)c2C(C)C)cc1
InChIInChI=1S/C20H24N4O2/c1-12(2)19-18(11-22-24(19)16-8-6-13(3)7-9-16)20(25)21-10-17-14(4)23-26-15(17)5/h6-9,11-12H,10H2,1-5H3,(H,21,25)
InChIKeyNXMCUVPGCYTCEX-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.84
Rot. Bonds5

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 47865061) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID47865061
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)NCc3c(C)noc3C)c2C(C)C)cc1
InChIInChI=1S/C20H24N4O2/c1-12(2)19-18(11-22-24(19)16-8-6-13(3)7-9-16)20(25)21-10-17-14(4)23-26-15(17)5/h6-9,11-12H,10H2,1-5H3,(H,21,25)
InChIKeyNXMCUVPGCYTCEX-UHFFFAOYSA-N
XLogP3.84
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide with MolForge

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Related Compounds

1-(4-methylphenyl)-5-propan-2-yl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55797748
1-(4-methylphenyl)-5-propan-2-yl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55607922
1-(4-methylphenyl)-5-propan-2-yl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55609248
N-(2-amino-2-ethylbutyl)-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
CID 119639876
N-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55638310
methyl 2-methoxy-5-[[[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]methyl]benzoate
CID 55605737
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55608162
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroxybenzamide
CID 114344508
N-(2-amino-1-cyclopropylethyl)-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 119612978
1-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid
CID 136515806
2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-3-carboxamide
CID 106686991
N-(2-aminoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 119383145

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide (CID 47865061) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide is Cc1ccc(-n2ncc(C(=O)NCc3c(C)noc3C)c2C(C)C)cc1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is NXMCUVPGCYTCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-12(2)19-18(11-22-24(19)16-8-6-13(3)7-9-16)20(25)21-10-17-14(4)23-26-15(17)5/h6-9,11-12H,10H2,1-5H3,(H,21,25).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 47865061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).