[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methyloxolan-2-yl)ethyl]hydrazine

C12H21ClN4O — CID 105316051

IUPAC[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methyloxolan-2-yl)ethyl]hydrazine
SMILESCc1nn(C)c(CC(NN)C2OCCC2C)c1Cl
InChIInChI=1S/C12H21ClN4O/c1-7-4-5-18-12(7)9(15-14)6-10-11(13)8(2)16-17(10)3/h7,9,12,15H,4-6,14H2,1-3H3
InChIKeyQECDDCCLLGFXSJ-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.18
Rot. Bonds4

About [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methyloxolan-2-yl)ethyl]hydrazine

[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methyloxolan-2-yl)ethyl]hydrazine (PubChem CID 105316051) has the molecular formula C12H21ClN4O and a molecular weight of 272.78 g/mol. Its IUPAC name is [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methyloxolan-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methyloxolan-2-yl)ethyl]hydrazine
PubChem CID105316051
Molecular FormulaC12H21ClN4O
Molecular Weight272.78 g/mol
Exact Mass272.14
IUPAC Name[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methyloxolan-2-yl)ethyl]hydrazine
SMILESCc1nn(C)c(CC(NN)C2OCCC2C)c1Cl
InChIInChI=1S/C12H21ClN4O/c1-7-4-5-18-12(7)9(15-14)6-10-11(13)8(2)16-17(10)3/h7,9,12,15H,4-6,14H2,1-3H3
InChIKeyQECDDCCLLGFXSJ-UHFFFAOYSA-N
XLogP1.18
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.18
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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Related Compounds

[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclopropylethyl]hydrazine
CID 105202592
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
CID 104998436
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]hydrazine
CID 105265889
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-ethylmorpholin-2-yl)ethyl]hydrazine
CID 105247717
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
CID 105034953
[2-(2-chloro-3-fluorophenyl)-1-(3-methyloxolan-2-yl)ethyl]hydrazine
CID 105332898
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(5-methyloxolan-3-yl)ethanamine
CID 104996892
2-(4-chloro-1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-methyloxolan-2-yl)ethanamine
CID 105001400
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanamine
CID 80603689
N-[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 104996890
[5-chloro-1-(4-chloro-1,3-dimethylpyrazol-5-yl)pentan-2-yl]hydrazine
CID 105235793
[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine
CID 105317017

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methyloxolan-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methyloxolan-2-yl)ethyl]hydrazine (CID 105316051) is [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methyloxolan-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methyloxolan-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methyloxolan-2-yl)ethyl]hydrazine is Cc1nn(C)c(CC(NN)C2OCCC2C)c1Cl.
What is the InChIKey of [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methyloxolan-2-yl)ethyl]hydrazine?
The InChIKey is QECDDCCLLGFXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4O/c1-7-4-5-18-12(7)9(15-14)6-10-11(13)8(2)16-17(10)3/h7,9,12,15H,4-6,14H2,1-3H3.
What are the key properties of [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methyloxolan-2-yl)ethyl]hydrazine?
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methyloxolan-2-yl)ethyl]hydrazine has a molecular weight of 272.78 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methyloxolan-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105316051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).