N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetohydrazide

C19H25ClN4O2S — CID 36850430

IUPACN'-[2-(4-chlorophenyl)sulfanylacetyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetohydrazide
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)NNC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C19H25ClN4O2S/c1-12(2)10-24-14(4)17(13(3)23-24)9-18(25)21-22-19(26)11-27-16-7-5-15(20)6-8-16/h5-8,12H,9-11H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyWPXFWWRHVAMXNC-UHFFFAOYSA-N
MW408.96 g/mol
LogP3.29
Rot. Bonds7

About N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetohydrazide

N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetohydrazide (PubChem CID 36850430) has the molecular formula C19H25ClN4O2S and a molecular weight of 408.96 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)sulfanylacetyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetohydrazide
PubChem CID36850430
Molecular FormulaC19H25ClN4O2S
Molecular Weight408.96 g/mol
Exact Mass408.14
IUPAC NameN'-[2-(4-chlorophenyl)sulfanylacetyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetohydrazide
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)NNC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C19H25ClN4O2S/c1-12(2)10-24-14(4)17(13(3)23-24)9-18(25)21-22-19(26)11-27-16-7-5-15(20)6-8-16/h5-8,12H,9-11H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyWPXFWWRHVAMXNC-UHFFFAOYSA-N
XLogP3.29
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.96
LogP ≤ 53.29
H-Bond Donors ≤ 52
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-chlorophenyl)-2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]benzamide
CID 55466110
(2R)-N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide
CID 95777525
N-[2-(2,4-dichlorophenyl)ethyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 9082946
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-naphthalen-2-ylethyl)acetamide
CID 134012980
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-phenylethyl)acetamide
CID 46652170
[1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate
CID 55426385
N'-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 46653893
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 41444293
(2R)-2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-2-phenylacetic acid
CID 119367917
(2R)-2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-2-phenylacetamide
CID 40895953
(2S)-N'-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-2-(4-ethoxyphenoxy)propanehydrazide
CID 9088700
N-(2-amino-1-naphthalen-2-ylethyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 120567731

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetohydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetohydrazide (CID 36850430) is N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetohydrazide is Cc1nn(CC(C)C)c(C)c1CC(=O)NNC(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetohydrazide?
The InChIKey is WPXFWWRHVAMXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O2S/c1-12(2)10-24-14(4)17(13(3)23-24)9-18(25)21-22-19(26)11-27-16-7-5-15(20)6-8-16/h5-8,12H,9-11H2,1-4H3,(H,21,25)(H,22,26).
What are the key properties of N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetohydrazide?
N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetohydrazide has a molecular weight of 408.96 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetohydrazide is sourced from PubChem (CID 36850430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).