(2R)-2-(4-cyanophenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanehydrazide

C16H19N5O4S — CID 8823276

IUPAC(2R)-2-(4-cyanophenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanehydrazide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NNC(=O)[C@@H](C)Oc1ccc(C#N)cc1
InChIInChI=1S/C16H19N5O4S/c1-10-15(11(2)21(4)19-10)26(23,24)20-18-16(22)12(3)25-14-7-5-13(9-17)6-8-14/h5-8,12,20H,1-4H3,(H,18,22)/t12-/m1/s1
InChIKeyKKDJEOBEQYGIMX-GFCCVEGCSA-N
MW377.43 g/mol
LogP0.69
Rot. Bonds6

About (2R)-2-(4-cyanophenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanehydrazide

(2R)-2-(4-cyanophenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanehydrazide (PubChem CID 8823276) has the molecular formula C16H19N5O4S and a molecular weight of 377.43 g/mol. Its IUPAC name is (2R)-2-(4-cyanophenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanehydrazide.

Molecular Properties

Compound Name(2R)-2-(4-cyanophenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanehydrazide
PubChem CID8823276
Molecular FormulaC16H19N5O4S
Molecular Weight377.43 g/mol
Exact Mass377.12
IUPAC Name(2R)-2-(4-cyanophenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanehydrazide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NNC(=O)[C@@H](C)Oc1ccc(C#N)cc1
InChIInChI=1S/C16H19N5O4S/c1-10-15(11(2)21(4)19-10)26(23,24)20-18-16(22)12(3)25-14-7-5-13(9-17)6-8-14/h5-8,12,20H,1-4H3,(H,18,22)/t12-/m1/s1
InChIKeyKKDJEOBEQYGIMX-GFCCVEGCSA-N
XLogP0.69
TPSA126.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-propan-2-yloxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide
CID 8823114
(2R)-2-(4-cyanophenoxy)-N'-(2,5-difluorophenyl)sulfonylpropanehydrazide
CID 9238081
2-(4-cyanophenoxy)-N-propan-2-ylsulfonylpropanamide
CID 47458561
3,5-dimethoxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide
CID 8823122
2-(4-methoxyphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide
CID 8822984
(2R)-2-(4-cyanophenoxy)-N-(1-methylpyrazol-3-yl)propanamide
CID 25438347
N'-[(2R)-2-(4-cyanophenoxy)propanoyl]pyridine-4-carbohydrazide
CID 51543869
3-methoxy-4-(3-methylbutoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide
CID 8823546
(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 27909199
(2S)-2-[2-(4-cyanophenoxy)propanoylamino]-3-methylbutanoic acid
CID 61136472
2-(4-cyanophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 16548273
N'-[2-(4-cyanophenoxy)propanoyl]-4-ethylbenzohydrazide
CID 78780605

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-cyanophenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanehydrazide?
The IUPAC name of (2R)-2-(4-cyanophenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanehydrazide (CID 8823276) is (2R)-2-(4-cyanophenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanehydrazide.
What is the SMILES notation for (2R)-2-(4-cyanophenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanehydrazide?
The canonical SMILES for (2R)-2-(4-cyanophenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanehydrazide is Cc1nn(C)c(C)c1S(=O)(=O)NNC(=O)[C@@H](C)Oc1ccc(C#N)cc1.
What is the InChIKey of (2R)-2-(4-cyanophenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanehydrazide?
The InChIKey is KKDJEOBEQYGIMX-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N5O4S/c1-10-15(11(2)21(4)19-10)26(23,24)20-18-16(22)12(3)25-14-7-5-13(9-17)6-8-14/h5-8,12,20H,1-4H3,(H,18,22)/t12-/m1/s1.
What are the key properties of (2R)-2-(4-cyanophenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanehydrazide?
(2R)-2-(4-cyanophenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanehydrazide has a molecular weight of 377.43 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-cyanophenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanehydrazide is sourced from PubChem (CID 8823276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).