N-(1-benzylpyrazol-3-yl)-2-(1-phenylpyrazol-4-yl)acetamide

C21H19N5O — CID 47048680

IUPACN-(1-benzylpyrazol-3-yl)-2-(1-phenylpyrazol-4-yl)acetamide
SMILESO=C(Cc1cnn(-c2ccccc2)c1)Nc1ccn(Cc2ccccc2)n1
InChIInChI=1S/C21H19N5O/c27-21(13-18-14-22-26(16-18)19-9-5-2-6-10-19)23-20-11-12-25(24-20)15-17-7-3-1-4-8-17/h1-12,14,16H,13,15H2,(H,23,24,27)
InChIKeyWSBAVACUOPKAEK-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.30
Rot. Bonds6

About N-(1-benzylpyrazol-3-yl)-2-(1-phenylpyrazol-4-yl)acetamide

N-(1-benzylpyrazol-3-yl)-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 47048680) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-(1-benzylpyrazol-3-yl)-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-3-yl)-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID47048680
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-(1-benzylpyrazol-3-yl)-2-(1-phenylpyrazol-4-yl)acetamide
SMILESO=C(Cc1cnn(-c2ccccc2)c1)Nc1ccn(Cc2ccccc2)n1
InChIInChI=1S/C21H19N5O/c27-21(13-18-14-22-26(16-18)19-9-5-2-6-10-19)23-20-11-12-25(24-20)15-17-7-3-1-4-8-17/h1-12,14,16H,13,15H2,(H,23,24,27)
InChIKeyWSBAVACUOPKAEK-UHFFFAOYSA-N
XLogP3.30
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-benzylpyrazol-4-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]acetamide
CID 166259503
2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide
CID 18152814
2-oxo-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 16787671
2-(1-phenylpyrazol-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 39166946
N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylacetamide
CID 19394819
1-(4-benzylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone
CID 16620987
N-(4-acetylphenyl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16620682
2-(1-phenylpyrazol-4-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29370870
N'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide
CID 30905613
N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 47141475
N-[2-[(1-benzylpyrazol-3-yl)amino]-2-oxoethyl]benzamide
CID 47066196
methyl 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetate
CID 47141661

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-3-yl)-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-(1-benzylpyrazol-3-yl)-2-(1-phenylpyrazol-4-yl)acetamide (CID 47048680) is N-(1-benzylpyrazol-3-yl)-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(1-benzylpyrazol-3-yl)-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(1-benzylpyrazol-3-yl)-2-(1-phenylpyrazol-4-yl)acetamide is O=C(Cc1cnn(-c2ccccc2)c1)Nc1ccn(Cc2ccccc2)n1.
What is the InChIKey of N-(1-benzylpyrazol-3-yl)-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is WSBAVACUOPKAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c27-21(13-18-14-22-26(16-18)19-9-5-2-6-10-19)23-20-11-12-25(24-20)15-17-7-3-1-4-8-17/h1-12,14,16H,13,15H2,(H,23,24,27).
What are the key properties of N-(1-benzylpyrazol-3-yl)-2-(1-phenylpyrazol-4-yl)acetamide?
N-(1-benzylpyrazol-3-yl)-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 357.42 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-3-yl)-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 47048680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).