N-[(1-benzylpyrazol-4-yl)methyl]-2-methoxy-N-methylbenzamide

C20H21N3O2 — CID 31674674

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-2-methoxy-N-methylbenzamide
SMILESCOc1ccccc1C(=O)N(C)Cc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C20H21N3O2/c1-22(20(24)18-10-6-7-11-19(18)25-2)13-17-12-21-23(15-17)14-16-8-4-3-5-9-16/h3-12,15H,13-14H2,1-2H3
InChIKeySAAPSGVODSOIDI-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.21
Rot. Bonds6

About N-[(1-benzylpyrazol-4-yl)methyl]-2-methoxy-N-methylbenzamide

N-[(1-benzylpyrazol-4-yl)methyl]-2-methoxy-N-methylbenzamide (PubChem CID 31674674) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-2-methoxy-N-methylbenzamide
PubChem CID31674674
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-2-methoxy-N-methylbenzamide
SMILESCOc1ccccc1C(=O)N(C)Cc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C20H21N3O2/c1-22(20(24)18-10-6-7-11-19(18)25-2)13-17-12-21-23(15-17)14-16-8-4-3-5-9-16/h3-12,15H,13-14H2,1-2H3
InChIKeySAAPSGVODSOIDI-UHFFFAOYSA-N
XLogP3.21
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzylpyrazol-4-yl)methyl]-4,5-dimethoxy-N-methyl-2-nitrobenzamide
CID 31673836
N-[(1-benzylpyrazol-4-yl)methyl]-3,4-diethoxy-N-methylbenzamide
CID 31798331
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 31963518
3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea
CID 24664584
N-[(1-benzylpyrazol-4-yl)methyl]-2-bromo-N-methyl-5-sulfamoylbenzamide
CID 31798884
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 30767329
N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide
CID 166427424
N-[(1-benzylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
CID 31674136
N-[(1-benzylpyrazol-4-yl)methyl]-6-chloro-N,2-dimethylquinoline-3-carboxamide
CID 33258382
(2R)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-phenylbutanamide
CID 51925794
N-[(1-benzylpyrazol-4-yl)methyl]-N,6-dimethyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46650100
(E)-N-[(1-benzylpyrazol-4-yl)methyl]-3-[2-(difluoromethoxy)phenyl]-N-methylprop-2-enamide
CID 30297757

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-2-methoxy-N-methylbenzamide?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-2-methoxy-N-methylbenzamide (CID 31674674) is N-[(1-benzylpyrazol-4-yl)methyl]-2-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-2-methoxy-N-methylbenzamide?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-2-methoxy-N-methylbenzamide is COc1ccccc1C(=O)N(C)Cc1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-2-methoxy-N-methylbenzamide?
The InChIKey is SAAPSGVODSOIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-22(20(24)18-10-6-7-11-19(18)25-2)13-17-12-21-23(15-17)14-16-8-4-3-5-9-16/h3-12,15H,13-14H2,1-2H3.
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-2-methoxy-N-methylbenzamide?
N-[(1-benzylpyrazol-4-yl)methyl]-2-methoxy-N-methylbenzamide has a molecular weight of 335.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 31674674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).