N-[(1-benzylpyrazol-4-yl)methyl]-3,4-diethoxy-N-methylbenzamide

C23H27N3O3 — CID 31798331

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-3,4-diethoxy-N-methylbenzamide
SMILESCCOc1ccc(C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cc1OCC
InChIInChI=1S/C23H27N3O3/c1-4-28-21-12-11-20(13-22(21)29-5-2)23(27)25(3)15-19-14-24-26(17-19)16-18-9-7-6-8-10-18/h6-14,17H,4-5,15-16H2,1-3H3
InChIKeyMJKKMSHMCDJRAH-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.00
Rot. Bonds9

About N-[(1-benzylpyrazol-4-yl)methyl]-3,4-diethoxy-N-methylbenzamide

N-[(1-benzylpyrazol-4-yl)methyl]-3,4-diethoxy-N-methylbenzamide (PubChem CID 31798331) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-3,4-diethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-3,4-diethoxy-N-methylbenzamide
PubChem CID31798331
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-3,4-diethoxy-N-methylbenzamide
SMILESCCOc1ccc(C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cc1OCC
InChIInChI=1S/C23H27N3O3/c1-4-28-21-12-11-20(13-22(21)29-5-2)23(27)25(3)15-19-14-24-26(17-19)16-18-9-7-6-8-10-18/h6-14,17H,4-5,15-16H2,1-3H3
InChIKeyMJKKMSHMCDJRAH-UHFFFAOYSA-N
XLogP4.00
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide
CID 39891647
N-[(1-benzylpyrazol-4-yl)methyl]-3-chloro-5-ethoxy-N-methyl-4-propoxybenzamide
CID 31798676
N-[(1-benzylpyrazol-4-yl)methyl]-2-methoxy-N-methylbenzamide
CID 31674674
N-benzyl-3-ethoxy-N-methyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 29260956
N,N-dibenzyl-3,4-diethoxybenzamide
CID 73441726
3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea
CID 24664584
1-benzyl-N-ethyl-N-methylpyrazole-4-carboxamide
CID 86926836
(3S)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 41447586
(2R)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-phenylbutanamide
CID 51925794
N-[(1-benzylpyrazol-4-yl)methyl]-4,5-dimethoxy-N-methyl-2-nitrobenzamide
CID 31673836
N-[(3-chlorophenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-4-ylmethoxy)benzamide
CID 55557724
4-(5-amino-4-cyanopyrazol-1-yl)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbenzamide
CID 51135316

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-3,4-diethoxy-N-methylbenzamide?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-3,4-diethoxy-N-methylbenzamide (CID 31798331) is N-[(1-benzylpyrazol-4-yl)methyl]-3,4-diethoxy-N-methylbenzamide.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-3,4-diethoxy-N-methylbenzamide?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-3,4-diethoxy-N-methylbenzamide is CCOc1ccc(C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cc1OCC.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-3,4-diethoxy-N-methylbenzamide?
The InChIKey is MJKKMSHMCDJRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-4-28-21-12-11-20(13-22(21)29-5-2)23(27)25(3)15-19-14-24-26(17-19)16-18-9-7-6-8-10-18/h6-14,17H,4-5,15-16H2,1-3H3.
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-3,4-diethoxy-N-methylbenzamide?
N-[(1-benzylpyrazol-4-yl)methyl]-3,4-diethoxy-N-methylbenzamide has a molecular weight of 393.49 g/mol, XLogP of 4.00, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-3,4-diethoxy-N-methylbenzamide is sourced from PubChem (CID 31798331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).