2-chloro-N-[3-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]benzamide

C23H24ClN5O3 — CID 55347041

IUPAC2-chloro-N-[3-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]benzamide
SMILESCc1cc(C)n(CC(=O)NNC(=O)CC(NC(=O)c2ccccc2Cl)c2ccccc2)n1
InChIInChI=1S/C23H24ClN5O3/c1-15-12-16(2)29(28-15)14-22(31)27-26-21(30)13-20(17-8-4-3-5-9-17)25-23(32)18-10-6-7-11-19(18)24/h3-12,20H,13-14H2,1-2H3,(H,25,32)(H,26,30)(H,27,31)
InChIKeyVHSQRVVPCWKDNF-UHFFFAOYSA-N
MW453.93 g/mol
LogP2.86
Rot. Bonds7

About 2-chloro-N-[3-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]benzamide

2-chloro-N-[3-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 55347041) has the molecular formula C23H24ClN5O3 and a molecular weight of 453.93 g/mol. Its IUPAC name is 2-chloro-N-[3-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]benzamide
PubChem CID55347041
Molecular FormulaC23H24ClN5O3
Molecular Weight453.93 g/mol
Exact Mass453.16
IUPAC Name2-chloro-N-[3-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]benzamide
SMILESCc1cc(C)n(CC(=O)NNC(=O)CC(NC(=O)c2ccccc2Cl)c2ccccc2)n1
InChIInChI=1S/C23H24ClN5O3/c1-15-12-16(2)29(28-15)14-22(31)27-26-21(30)13-20(17-8-4-3-5-9-17)25-23(32)18-10-6-7-11-19(18)24/h3-12,20H,13-14H2,1-2H3,(H,25,32)(H,26,30)(H,27,31)
InChIKeyVHSQRVVPCWKDNF-UHFFFAOYSA-N
XLogP2.86
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.93
LogP ≤ 52.86
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

N-[4-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-4-oxobutan-2-yl]benzamide
CID 51195541
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CID 4806734
2-chloro-N-[(1S)-3-[2-(ethylcarbamothioyl)hydrazinyl]-3-oxo-1-phenylpropyl]benzamide
CID 7977492
2-chloro-N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide
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(2S)-2-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]butanoic acid
CID 166239591
2-chloro-N-[(1S)-3-[2-(2-methylpropanoylamino)ethylamino]-3-oxo-1-phenylpropyl]benzamide
CID 93235676
2-chloro-N-[(1S)-3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide
CID 25332382
2-chloro-N-[(1S)-3-oxo-1-phenyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylamino)propyl]benzamide
CID 41157074
N-[(2S)-1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 7613435
2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
CID 7444942
2-chloro-N-[(1R)-3-(2-methylbutan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide
CID 7700948
2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-methylsulfanylbenzohydrazide
CID 26614007

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]benzamide (CID 55347041) is 2-chloro-N-[3-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]benzamide is Cc1cc(C)n(CC(=O)NNC(=O)CC(NC(=O)c2ccccc2Cl)c2ccccc2)n1.
What is the InChIKey of 2-chloro-N-[3-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is VHSQRVVPCWKDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O3/c1-15-12-16(2)29(28-15)14-22(31)27-26-21(30)13-20(17-8-4-3-5-9-17)25-23(32)18-10-6-7-11-19(18)24/h3-12,20H,13-14H2,1-2H3,(H,25,32)(H,26,30)(H,27,31).
What are the key properties of 2-chloro-N-[3-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]benzamide?
2-chloro-N-[3-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 453.93 g/mol, XLogP of 2.86, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 55347041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).