N-[(1-benzylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide

C22H24N4O — CID 56895276

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide
SMILESO=C(NCc1cnn(Cc2ccccc2)c1)c1ccccc1C1CCNC1
InChIInChI=1S/C22H24N4O/c27-22(21-9-5-4-8-20(21)19-10-11-23-14-19)24-12-18-13-25-26(16-18)15-17-6-2-1-3-7-17/h1-9,13,16,19,23H,10-12,14-15H2,(H,24,27)
InChIKeyXYXWIDSOGYJOOJ-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.94
Rot. Bonds6

About N-[(1-benzylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide

N-[(1-benzylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide (PubChem CID 56895276) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide
PubChem CID56895276
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide
SMILESO=C(NCc1cnn(Cc2ccccc2)c1)c1ccccc1C1CCNC1
InChIInChI=1S/C22H24N4O/c27-22(21-9-5-4-8-20(21)19-10-11-23-14-19)24-12-18-13-25-26(16-18)15-17-6-2-1-3-7-17/h1-9,13,16,19,23H,10-12,14-15H2,(H,24,27)
InChIKeyXYXWIDSOGYJOOJ-UHFFFAOYSA-N
XLogP2.94
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
CID 95726988
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide
CID 56900513
N-[(1-benzylpyrazol-4-yl)methyl]-2-(trifluoromethyl)benzamide
CID 86990835
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
CID 136706433
N-[(1-benzylpyrazol-4-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide
CID 72931571
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
CID 95713576
N-[(1-benzylpyrazol-4-yl)methyl]-2-(2-cyanophenyl)benzamide
CID 86991680
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(3S)-pyrrolidin-3-yl]benzamide
CID 95729073
N-(1-benzylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63006125
N-[(1-benzylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide
CID 86991697
N-[(1-benzylpyrazol-4-yl)methyl]-2-oxochromene-3-carboxamide
CID 51115685
N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-pyrrolidin-3-ylbenzamide
CID 56913832

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide (CID 56895276) is N-[(1-benzylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide is O=C(NCc1cnn(Cc2ccccc2)c1)c1ccccc1C1CCNC1.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide?
The InChIKey is XYXWIDSOGYJOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c27-22(21-9-5-4-8-20(21)19-10-11-23-14-19)24-12-18-13-25-26(16-18)15-17-6-2-1-3-7-17/h1-9,13,16,19,23H,10-12,14-15H2,(H,24,27).
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide?
N-[(1-benzylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide has a molecular weight of 360.46 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 56895276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).