(2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide

C17H22N4O2S — CID 9428621

IUPAC(2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide
SMILESCc1ccc(S[C@@H](C)C(=O)NNC(=O)Cn2nc(C)cc2C)cc1
InChIInChI=1S/C17H22N4O2S/c1-11-5-7-15(8-6-11)24-14(4)17(23)19-18-16(22)10-21-13(3)9-12(2)20-21/h5-9,14H,10H2,1-4H3,(H,18,22)(H,19,23)/t14-/m0/s1
InChIKeyFSSREPOJEGIQER-AWEZNQCLSA-N
MW346.46 g/mol
LogP2.14
Rot. Bonds5

About (2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide

(2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide (PubChem CID 9428621) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is (2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide.

Molecular Properties

Compound Name(2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide
PubChem CID9428621
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name(2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide
SMILESCc1ccc(S[C@@H](C)C(=O)NNC(=O)Cn2nc(C)cc2C)cc1
InChIInChI=1S/C17H22N4O2S/c1-11-5-7-15(8-6-11)24-14(4)17(23)19-18-16(22)10-21-13(3)9-12(2)20-21/h5-9,14H,10H2,1-4H3,(H,18,22)(H,19,23)/t14-/m0/s1
InChIKeyFSSREPOJEGIQER-AWEZNQCLSA-N
XLogP2.14
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.14
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

[(2S,3S)-1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea
CID 7613436
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2,4-dimethylbenzohydrazide
CID 26614017
2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide
CID 19525814
2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-methylsulfanylbenzohydrazide
CID 26614007
[1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
CID 18161608
1-[1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea
CID 46643358
(3S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 9416516
4-tert-butyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide
CID 9416710
(2S)-N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide
CID 9428457
N-[4-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-4-oxobutan-2-yl]benzamide
CID 51195541
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]propanoic acid
CID 43648205
1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-ethylthiourea
CID 4290547

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide?
The IUPAC name of (2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide (CID 9428621) is (2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide.
What is the SMILES notation for (2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide?
The canonical SMILES for (2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide is Cc1ccc(S[C@@H](C)C(=O)NNC(=O)Cn2nc(C)cc2C)cc1.
What is the InChIKey of (2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide?
The InChIKey is FSSREPOJEGIQER-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-11-5-7-15(8-6-11)24-14(4)17(23)19-18-16(22)10-21-13(3)9-12(2)20-21/h5-9,14H,10H2,1-4H3,(H,18,22)(H,19,23)/t14-/m0/s1.
What are the key properties of (2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide?
(2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide has a molecular weight of 346.46 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide is sourced from PubChem (CID 9428621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).