hydrazinyl 3-(4-chloro-5-methylpyrazol-1-yl)propanoate

C7H11ClN4O2 — CID 66337882

IUPAChydrazinyl 3-(4-chloro-5-methylpyrazol-1-yl)propanoate
SMILESCc1c(Cl)cnn1CCC(=O)ONN
InChIInChI=1S/C7H11ClN4O2/c1-5-6(8)4-10-12(5)3-2-7(13)14-11-9/h4,11H,2-3,9H2,1H3
InChIKeyHOQYODTVCKCVNO-UHFFFAOYSA-N
MW218.64 g/mol
LogP0.16
Rot. Bonds4

About hydrazinyl 3-(4-chloro-5-methylpyrazol-1-yl)propanoate

hydrazinyl 3-(4-chloro-5-methylpyrazol-1-yl)propanoate (PubChem CID 66337882) has the molecular formula C7H11ClN4O2 and a molecular weight of 218.64 g/mol. Its IUPAC name is hydrazinyl 3-(4-chloro-5-methylpyrazol-1-yl)propanoate.

Molecular Properties

Compound Namehydrazinyl 3-(4-chloro-5-methylpyrazol-1-yl)propanoate
PubChem CID66337882
Molecular FormulaC7H11ClN4O2
Molecular Weight218.64 g/mol
Exact Mass218.06
IUPAC Namehydrazinyl 3-(4-chloro-5-methylpyrazol-1-yl)propanoate
SMILESCc1c(Cl)cnn1CCC(=O)ONN
InChIInChI=1S/C7H11ClN4O2/c1-5-6(8)4-10-12(5)3-2-7(13)14-11-9/h4,11H,2-3,9H2,1H3
InChIKeyHOQYODTVCKCVNO-UHFFFAOYSA-N
XLogP0.16
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.64
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-(4-chloro-5-methylpyrazol-1-yl)propanoate?
The IUPAC name of hydrazinyl 3-(4-chloro-5-methylpyrazol-1-yl)propanoate (CID 66337882) is hydrazinyl 3-(4-chloro-5-methylpyrazol-1-yl)propanoate.
What is the SMILES notation for hydrazinyl 3-(4-chloro-5-methylpyrazol-1-yl)propanoate?
The canonical SMILES for hydrazinyl 3-(4-chloro-5-methylpyrazol-1-yl)propanoate is Cc1c(Cl)cnn1CCC(=O)ONN.
What is the InChIKey of hydrazinyl 3-(4-chloro-5-methylpyrazol-1-yl)propanoate?
The InChIKey is HOQYODTVCKCVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4O2/c1-5-6(8)4-10-12(5)3-2-7(13)14-11-9/h4,11H,2-3,9H2,1H3.
What are the key properties of hydrazinyl 3-(4-chloro-5-methylpyrazol-1-yl)propanoate?
hydrazinyl 3-(4-chloro-5-methylpyrazol-1-yl)propanoate has a molecular weight of 218.64 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-(4-chloro-5-methylpyrazol-1-yl)propanoate is sourced from PubChem (CID 66337882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).