3-(4-chloropyrazol-1-yl)-2,2-dimethylpropanehydrazide

C8H13ClN4O — CID 79631561

IUPAC3-(4-chloropyrazol-1-yl)-2,2-dimethylpropanehydrazide
SMILESCC(C)(Cn1cc(Cl)cn1)C(=O)NN
InChIInChI=1S/C8H13ClN4O/c1-8(2,7(14)12-10)5-13-4-6(9)3-11-13/h3-4H,5,10H2,1-2H3,(H,12,14)
InChIKeyWWNZEOSZADZTRX-UHFFFAOYSA-N
MW216.67 g/mol
LogP0.55
Rot. Bonds3

About 3-(4-chloropyrazol-1-yl)-2,2-dimethylpropanehydrazide

3-(4-chloropyrazol-1-yl)-2,2-dimethylpropanehydrazide (PubChem CID 79631561) has the molecular formula C8H13ClN4O and a molecular weight of 216.67 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-2,2-dimethylpropanehydrazide
PubChem CID79631561
Molecular FormulaC8H13ClN4O
Molecular Weight216.67 g/mol
Exact Mass216.08
IUPAC Name3-(4-chloropyrazol-1-yl)-2,2-dimethylpropanehydrazide
SMILESCC(C)(Cn1cc(Cl)cn1)C(=O)NN
InChIInChI=1S/C8H13ClN4O/c1-8(2,7(14)12-10)5-13-4-6(9)3-11-13/h3-4H,5,10H2,1-2H3,(H,12,14)
InChIKeyWWNZEOSZADZTRX-UHFFFAOYSA-N
XLogP0.55
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 50.55
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

2-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]acetohydrazide
CID 105352212
2,2-dimethyl-3-(5-methyl-2-oxopyrimidin-1-yl)propanehydrazide
CID 79631373
(2S)-3-(4-chloropyrazol-1-yl)-1,1,1-trifluoro-2-methylpropan-2-ol
CID 129480738
6-(4-chloropyrazol-1-yl)-2,2-dimethylhexanoic acid
CID 106714172
N-carbamoyl-2-(4-chloropyrazol-1-yl)acetamide
CID 130693998
ethyl 3-(4-chloropyrazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoate
CID 63921670
4-[2-(4-chloropyrazol-1-yl)ethoxy]benzohydrazide
CID 55214069
1-amino-3-(4-chloropyrazol-1-yl)propan-2-one
CID 84654781
1-(4-chloropyrazol-1-yl)butan-2-one
CID 62040600
methyl 3-(4-chloropyrazol-1-yl)propanoate
CID 7017157
2,2-dimethyl-3-(4-methylpyrazol-1-yl)propanoic acid
CID 79628887
N-[3-(4-chloropyrazol-1-yl)propyl]acetamide
CID 19331985

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-2,2-dimethylpropanehydrazide?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-2,2-dimethylpropanehydrazide (CID 79631561) is 3-(4-chloropyrazol-1-yl)-2,2-dimethylpropanehydrazide.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-2,2-dimethylpropanehydrazide?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-2,2-dimethylpropanehydrazide is CC(C)(Cn1cc(Cl)cn1)C(=O)NN.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-2,2-dimethylpropanehydrazide?
The InChIKey is WWNZEOSZADZTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4O/c1-8(2,7(14)12-10)5-13-4-6(9)3-11-13/h3-4H,5,10H2,1-2H3,(H,12,14).
What are the key properties of 3-(4-chloropyrazol-1-yl)-2,2-dimethylpropanehydrazide?
3-(4-chloropyrazol-1-yl)-2,2-dimethylpropanehydrazide has a molecular weight of 216.67 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 79631561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).