[1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(oxolan-2-yl)propan-2-yl]hydrazine

C14H25ClN4O — CID 105198758

IUPAC[1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(oxolan-2-yl)propan-2-yl]hydrazine
SMILESCCc1nn(CC)c(CC(CC2CCCO2)NN)c1Cl
InChIInChI=1S/C14H25ClN4O/c1-3-12-14(15)13(19(4-2)18-12)9-10(17-16)8-11-6-5-7-20-11/h10-11,17H,3-9,16H2,1-2H3
InChIKeyKVNULKDKMULZLL-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.06
Rot. Bonds7

About [1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(oxolan-2-yl)propan-2-yl]hydrazine

[1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(oxolan-2-yl)propan-2-yl]hydrazine (PubChem CID 105198758) has the molecular formula C14H25ClN4O and a molecular weight of 300.83 g/mol. Its IUPAC name is [1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(oxolan-2-yl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(oxolan-2-yl)propan-2-yl]hydrazine
PubChem CID105198758
Molecular FormulaC14H25ClN4O
Molecular Weight300.83 g/mol
Exact Mass300.17
IUPAC Name[1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(oxolan-2-yl)propan-2-yl]hydrazine
SMILESCCc1nn(CC)c(CC(CC2CCCO2)NN)c1Cl
InChIInChI=1S/C14H25ClN4O/c1-3-12-14(15)13(19(4-2)18-12)9-10(17-16)8-11-6-5-7-20-11/h10-11,17H,3-9,16H2,1-2H3
InChIKeyKVNULKDKMULZLL-UHFFFAOYSA-N
XLogP2.06
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 [1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(oxolan-2-yl)propan-2-yl]hydrazine?
The IUPAC name of [1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(oxolan-2-yl)propan-2-yl]hydrazine (CID 105198758) is [1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(oxolan-2-yl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(oxolan-2-yl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(oxolan-2-yl)propan-2-yl]hydrazine is CCc1nn(CC)c(CC(CC2CCCO2)NN)c1Cl.
What is the InChIKey of [1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(oxolan-2-yl)propan-2-yl]hydrazine?
The InChIKey is KVNULKDKMULZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN4O/c1-3-12-14(15)13(19(4-2)18-12)9-10(17-16)8-11-6-5-7-20-11/h10-11,17H,3-9,16H2,1-2H3.
What are the key properties of [1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(oxolan-2-yl)propan-2-yl]hydrazine?
[1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(oxolan-2-yl)propan-2-yl]hydrazine has a molecular weight of 300.83 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(oxolan-2-yl)propan-2-yl]hydrazine is sourced from PubChem (CID 105198758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).