1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide

C25H27N5O3 — CID 86974156

IUPAC1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2noc(C(C)(C)C)n2)cc1
InChIInChI=1S/C25H27N5O3/c1-25(2,3)24-27-21(29-33-24)14-26-23(31)20-16-30(15-17-8-6-5-7-9-17)28-22(20)18-10-12-19(32-4)13-11-18/h5-13,16H,14-15H2,1-4H3,(H,26,31)
InChIKeyNFOLVHMGYUYBTB-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.22
Rot. Bonds7

About 1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide

1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide (PubChem CID 86974156) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide
PubChem CID86974156
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2noc(C(C)(C)C)n2)cc1
InChIInChI=1S/C25H27N5O3/c1-25(2,3)24-27-21(29-33-24)14-26-23(31)20-16-30(15-17-8-6-5-7-9-17)28-22(20)18-10-12-19(32-4)13-11-18/h5-13,16H,14-15H2,1-4H3,(H,26,31)
InChIKeyNFOLVHMGYUYBTB-UHFFFAOYSA-N
XLogP4.22
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 27843936
N-(2-amino-2-methylpropyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 119625953
1-benzyl-3-(4-methoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 42034029
ethyl N-[2-[[1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carbonyl]amino]ethyl]carbamate
CID 56557916
1-benzyl-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-phenylpyrazole-4-carboxamide
CID 40815406
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 86974071
1-benzyl-3-(4-methoxyphenyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)pyrazole-4-carboxamide
CID 24676684
1-benzyl-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 9208106
1-benzyl-3-(4-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 31446508
1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide
CID 56827699
1-benzyl-N-[4-(diethylcarbamoyl)phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 30997182
1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 51180334

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide (CID 86974156) is 1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide is COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2noc(C(C)(C)C)n2)cc1.
What is the InChIKey of 1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide?
The InChIKey is NFOLVHMGYUYBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-25(2,3)24-27-21(29-33-24)14-26-23(31)20-16-30(15-17-8-6-5-7-9-17)28-22(20)18-10-12-19(32-4)13-11-18/h5-13,16H,14-15H2,1-4H3,(H,26,31).
What are the key properties of 1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide?
1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 86974156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).