N-[4-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-4-oxobutan-2-yl]benzamide

C18H23N5O3 — CID 51195541

IUPACN-[4-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-4-oxobutan-2-yl]benzamide
SMILESCc1cc(C)n(CC(=O)NNC(=O)CC(C)NC(=O)c2ccccc2)n1
InChIInChI=1S/C18H23N5O3/c1-12(19-18(26)15-7-5-4-6-8-15)10-16(24)20-21-17(25)11-23-14(3)9-13(2)22-23/h4-9,12H,10-11H2,1-3H3,(H,19,26)(H,20,24)(H,21,25)
InChIKeyGKRPKUSVFURQBB-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.86
Rot. Bonds6

About N-[4-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-4-oxobutan-2-yl]benzamide

N-[4-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-4-oxobutan-2-yl]benzamide (PubChem CID 51195541) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[4-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-4-oxobutan-2-yl]benzamide
PubChem CID51195541
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC NameN-[4-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-4-oxobutan-2-yl]benzamide
SMILESCc1cc(C)n(CC(=O)NNC(=O)CC(C)NC(=O)c2ccccc2)n1
InChIInChI=1S/C18H23N5O3/c1-12(19-18(26)15-7-5-4-6-8-15)10-16(24)20-21-17(25)11-23-14(3)9-13(2)22-23/h4-9,12H,10-11H2,1-3H3,(H,19,26)(H,20,24)(H,21,25)
InChIKeyGKRPKUSVFURQBB-UHFFFAOYSA-N
XLogP0.86
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[3-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]benzamide
CID 55347041
4-tert-butyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide
CID 9416710
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-ethylbenzohydrazide
CID 26614008
1-[1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea
CID 46643358
2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide
CID 19525814
N-[2-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 18280546
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]propanoic acid
CID 43648205
(E)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylprop-2-enehydrazide
CID 40724083
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methylsulfonylbenzohydrazide
CID 4792234
[1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
CID 18161608
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-(1,2,4-triazol-1-yl)benzohydrazide
CID 26782232
3,5-dichloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide
CID 26613962

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[4-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-4-oxobutan-2-yl]benzamide (CID 51195541) is N-[4-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[4-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[4-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-4-oxobutan-2-yl]benzamide is Cc1cc(C)n(CC(=O)NNC(=O)CC(C)NC(=O)c2ccccc2)n1.
What is the InChIKey of N-[4-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-4-oxobutan-2-yl]benzamide?
The InChIKey is GKRPKUSVFURQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-12(19-18(26)15-7-5-4-6-8-15)10-16(24)20-21-17(25)11-23-14(3)9-13(2)22-23/h4-9,12H,10-11H2,1-3H3,(H,19,26)(H,20,24)(H,21,25).
What are the key properties of N-[4-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-4-oxobutan-2-yl]benzamide?
N-[4-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-4-oxobutan-2-yl]benzamide has a molecular weight of 357.41 g/mol, XLogP of 0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 51195541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).