[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-yl]hydrazine

C13H23ClN4O — CID 105265950

IUPAC[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-yl]hydrazine
SMILESCCn1nc(C)c(Cl)c1CC(CC1CCOC1)NN
InChIInChI=1S/C13H23ClN4O/c1-3-18-12(13(14)9(2)17-18)7-11(16-15)6-10-4-5-19-8-10/h10-11,16H,3-8,15H2,1-2H3
InChIKeyWOWLGMAAOMMHBJ-UHFFFAOYSA-N
MW286.81 g/mol
LogP1.67
Rot. Bonds6

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

[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-yl]hydrazine (PubChem CID 105265950) has the molecular formula C13H23ClN4O and a molecular weight of 286.81 g/mol. Its IUPAC name is [1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-yl]hydrazine
PubChem CID105265950
Molecular FormulaC13H23ClN4O
Molecular Weight286.81 g/mol
Exact Mass286.16
IUPAC Name[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-yl]hydrazine
SMILESCCn1nc(C)c(Cl)c1CC(CC1CCOC1)NN
InChIInChI=1S/C13H23ClN4O/c1-3-18-12(13(14)9(2)17-18)7-11(16-15)6-10-4-5-19-8-10/h10-11,16H,3-8,15H2,1-2H3
InChIKeyWOWLGMAAOMMHBJ-UHFFFAOYSA-N
XLogP1.67
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 51.67
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

[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-methylsulfanylpropan-2-yl]hydrazine
CID 105213762
[1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-cyclopentylpropan-2-yl]hydrazine
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1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(1,3-dioxolan-2-yl)-N-methylpropan-2-amine
CID 103546885
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986324
[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-cyclohexylpropan-2-yl]hydrazine
CID 105316689
3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]oxan-4-amine
CID 106468967
[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-propoxypropan-2-yl]hydrazine
CID 105209898
[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine
CID 105317017
[1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(oxolan-2-yl)propan-2-yl]hydrazine
CID 105198758
3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine
CID 106469312
[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151695
[3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-difluoropropan-2-yl]hydrazine
CID 105264979

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-yl]hydrazine?
The IUPAC name of [1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-yl]hydrazine (CID 105265950) is [1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-yl]hydrazine is CCn1nc(C)c(Cl)c1CC(CC1CCOC1)NN.
What is the InChIKey of [1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-yl]hydrazine?
The InChIKey is WOWLGMAAOMMHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4O/c1-3-18-12(13(14)9(2)17-18)7-11(16-15)6-10-4-5-19-8-10/h10-11,16H,3-8,15H2,1-2H3.
What are the key properties of [1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-yl]hydrazine?
[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-yl]hydrazine has a molecular weight of 286.81 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-yl]hydrazine is sourced from PubChem (CID 105265950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).