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

C17H20ClN5O3 — CID 7969446

IUPAC2-chloro-N-[3-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide
SMILESCc1cc(C)n(CC(=O)NNC(=O)CCNC(=O)c2ccccc2Cl)n1
InChIInChI=1S/C17H20ClN5O3/c1-11-9-12(2)23(22-11)10-16(25)21-20-15(24)7-8-19-17(26)13-5-3-4-6-14(13)18/h3-6,9H,7-8,10H2,1-2H3,(H,19,26)(H,20,24)(H,21,25)
InChIKeyFXHCBDDZZOKNML-UHFFFAOYSA-N
MW377.83 g/mol
LogP1.12
Rot. Bonds6

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

2-chloro-N-[3-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide (PubChem CID 7969446) has the molecular formula C17H20ClN5O3 and a molecular weight of 377.83 g/mol. Its IUPAC name is 2-chloro-N-[3-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide
PubChem CID7969446
Molecular FormulaC17H20ClN5O3
Molecular Weight377.83 g/mol
Exact Mass377.13
IUPAC Name2-chloro-N-[3-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide
SMILESCc1cc(C)n(CC(=O)NNC(=O)CCNC(=O)c2ccccc2Cl)n1
InChIInChI=1S/C17H20ClN5O3/c1-11-9-12(2)23(22-11)10-16(25)21-20-15(24)7-8-19-17(26)13-5-3-4-6-14(13)18/h3-6,9H,7-8,10H2,1-2H3,(H,19,26)(H,20,24)(H,21,25)
InChIKeyFXHCBDDZZOKNML-UHFFFAOYSA-N
XLogP1.12
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 51.12
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

Cathepsin inhibitor 1
CID 44224135
N-(4-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]-3-pyrazolecarboxamide
CID 2747052
N-(2-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
CID 2747053
4-chloro-N-(4-chlorobenzyl)-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 1231799
Dipeptidyl nitrile inhibitor, 19
CID 44224129
Dipeptidyl nitrile inhibitor, 23
CID 44224133
Dipeptidyl nitrile inhibitor, 24
CID 44224134
N-(2-Chloro-4-Fluorobenzyl)-4-[(3,5-Dimethyl-1h-Pyrazol-1-Yl)methyl]benzamide
CID 91820715
3-tert-butyl-N-[(2S)-1-[[cyano(methyl)amino]-methylamino]-1-oxo-3-phenylpropan-2-yl]-1-methylpyrazole-5-carboxamide
CID 145964832
5-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 3712361
N-(4-{N-[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]ethanehydrazonoyl}phenyl)cyclobutanecarboxamide
CID 5431096
N-(3-{N-[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]ethanehydrazonoyl}phenyl)cyclopentanecarboxamide
CID 5431566

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide (CID 7969446) is 2-chloro-N-[3-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide is Cc1cc(C)n(CC(=O)NNC(=O)CCNC(=O)c2ccccc2Cl)n1.
What is the InChIKey of 2-chloro-N-[3-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide?
The InChIKey is FXHCBDDZZOKNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O3/c1-11-9-12(2)23(22-11)10-16(25)21-20-15(24)7-8-19-17(26)13-5-3-4-6-14(13)18/h3-6,9H,7-8,10H2,1-2H3,(H,19,26)(H,20,24)(H,21,25).
What are the key properties of 2-chloro-N-[3-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide?
2-chloro-N-[3-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide has a molecular weight of 377.83 g/mol, XLogP of 1.12, 6 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-oxopropyl]benzamide is sourced from PubChem (CID 7969446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).