(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propanehydrazide

C9H16N4O — CID 94133466

IUPAC(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propanehydrazide
SMILESCc1nn([C@H](C)C(=O)NN)c(C)c1C
InChIInChI=1S/C9H16N4O/c1-5-6(2)12-13(7(5)3)8(4)9(14)11-10/h8H,10H2,1-4H3,(H,11,14)/t8-/m1/s1
InChIKeyDMYVGBHQQYKTFD-MRVPVSSYSA-N
MW196.25 g/mol
LogP0.36
Rot. Bonds2

About (2R)-2-(3,4,5-trimethylpyrazol-1-yl)propanehydrazide

(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propanehydrazide (PubChem CID 94133466) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is (2R)-2-(3,4,5-trimethylpyrazol-1-yl)propanehydrazide.

Molecular Properties

Compound Name(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propanehydrazide
PubChem CID94133466
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propanehydrazide
SMILESCc1nn([C@H](C)C(=O)NN)c(C)c1C
InChIInChI=1S/C9H16N4O/c1-5-6(2)12-13(7(5)3)8(4)9(14)11-10/h8H,10H2,1-4H3,(H,11,14)/t8-/m1/s1
InChIKeyDMYVGBHQQYKTFD-MRVPVSSYSA-N
XLogP0.36
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(aminomethyl)phenyl]-2-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 61226146
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methylbutanehydrazide
CID 63579772
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-carbamoylpropanamide
CID 43116774
3,4,5-trimethyl-1-(3-methylbutan-2-yl)pyrazole
CID 131177145
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-tert-butylpropanamide
CID 43116783
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-methylbutanehydrazide
CID 63577446
(2R)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanehydrazide
CID 7018494
3,5-dimethyl-1-[1-(methylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 43565421
(2S)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
CID 7026272
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-pentan-3-ylpropanamide
CID 43116762
2-(5-methyl-3-nitropyrazol-1-yl)propanehydrazide
CID 17024630
2-(4-formyl-3,5-dimethylpyrazol-1-yl)propanamide
CID 103638906

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4,5-trimethylpyrazol-1-yl)propanehydrazide?
The IUPAC name of (2R)-2-(3,4,5-trimethylpyrazol-1-yl)propanehydrazide (CID 94133466) is (2R)-2-(3,4,5-trimethylpyrazol-1-yl)propanehydrazide.
What is the SMILES notation for (2R)-2-(3,4,5-trimethylpyrazol-1-yl)propanehydrazide?
The canonical SMILES for (2R)-2-(3,4,5-trimethylpyrazol-1-yl)propanehydrazide is Cc1nn([C@H](C)C(=O)NN)c(C)c1C.
What is the InChIKey of (2R)-2-(3,4,5-trimethylpyrazol-1-yl)propanehydrazide?
The InChIKey is DMYVGBHQQYKTFD-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-5-6(2)12-13(7(5)3)8(4)9(14)11-10/h8H,10H2,1-4H3,(H,11,14)/t8-/m1/s1.
What are the key properties of (2R)-2-(3,4,5-trimethylpyrazol-1-yl)propanehydrazide?
(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propanehydrazide has a molecular weight of 196.25 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4,5-trimethylpyrazol-1-yl)propanehydrazide is sourced from PubChem (CID 94133466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).