N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide

C17H19N3O — CID 166427424

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide
SMILESCN(Cc1cnn(Cc2ccccc2)c1)C(=O)C12CC1C2
InChIInChI=1S/C17H19N3O/c1-19(16(21)17-7-15(17)8-17)10-14-9-18-20(12-14)11-13-5-3-2-4-6-13/h2-6,9,12,15H,7-8,10-11H2,1H3
InChIKeyQPELMXBOJVEWAO-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.30
Rot. Bonds5

About N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide

N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide (PubChem CID 166427424) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide
PubChem CID166427424
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide
SMILESCN(Cc1cnn(Cc2ccccc2)c1)C(=O)C12CC1C2
InChIInChI=1S/C17H19N3O/c1-19(16(21)17-7-15(17)8-17)10-14-9-18-20(12-14)11-13-5-3-2-4-6-13/h2-6,9,12,15H,7-8,10-11H2,1H3
InChIKeyQPELMXBOJVEWAO-UHFFFAOYSA-N
XLogP2.30
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea
CID 24664584
(3R)-N-[(1-benzylpyrazol-4-yl)methyl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 94097512
N-[(1-benzylpyrazol-4-yl)methyl]-2-methoxy-N-methylbenzamide
CID 31674674
(2R)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-phenylbutanamide
CID 51925794
N-[(1-benzylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
CID 31674136
1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-naphthalen-1-ylurea
CID 17488706
N-[(1-benzylpyrazol-4-yl)methyl]-3,4-diethoxy-N-methylbenzamide
CID 31798331
N-[(1-benzylpyrazol-4-yl)methyl]-6-chloro-N,2-dimethylquinoline-3-carboxamide
CID 33258382
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
CID 9406480
1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 24528551
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42896459
1-benzyl-N-ethyl-N-methylpyrazole-4-carboxamide
CID 86926836

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide (CID 166427424) is N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide is CN(Cc1cnn(Cc2ccccc2)c1)C(=O)C12CC1C2.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide?
The InChIKey is QPELMXBOJVEWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-19(16(21)17-7-15(17)8-17)10-14-9-18-20(12-14)11-13-5-3-2-4-6-13/h2-6,9,12,15H,7-8,10-11H2,1H3.
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide?
N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide is sourced from PubChem (CID 166427424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).