[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-cyclopentylmethyl]hydrazine

C12H21ClN4O — CID 105204303

IUPAC[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-cyclopentylmethyl]hydrazine
SMILESCOCCn1ncc(Cl)c1C(NN)C1CCCC1
InChIInChI=1S/C12H21ClN4O/c1-18-7-6-17-12(10(13)8-15-17)11(16-14)9-4-2-3-5-9/h8-9,11,16H,2-7,14H2,1H3
InChIKeyYOUYSOQNVAFOMD-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.88
Rot. Bonds6

About [[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-cyclopentylmethyl]hydrazine

[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-cyclopentylmethyl]hydrazine (PubChem CID 105204303) has the molecular formula C12H21ClN4O and a molecular weight of 272.78 g/mol. Its IUPAC name is [[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-cyclopentylmethyl]hydrazine.

Molecular Properties

Compound Name[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-cyclopentylmethyl]hydrazine
PubChem CID105204303
Molecular FormulaC12H21ClN4O
Molecular Weight272.78 g/mol
Exact Mass272.14
IUPAC Name[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-cyclopentylmethyl]hydrazine
SMILESCOCCn1ncc(Cl)c1C(NN)C1CCCC1
InChIInChI=1S/C12H21ClN4O/c1-18-7-6-17-12(10(13)8-15-17)11(16-14)9-4-2-3-5-9/h8-9,11,16H,2-7,14H2,1H3
InChIKeyYOUYSOQNVAFOMD-UHFFFAOYSA-N
XLogP1.88
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.88
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

[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methyl]hydrazine
CID 105342345
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(4,4-dimethylcyclohexyl)-N-methylmethanamine
CID 114655310
[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
CID 105249908
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-cyclohexylmethyl]hydrazine
CID 105201958
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-difluoroethyl]hydrazine
CID 105265036
N-[6-bicyclo[3.1.0]hexanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine
CID 105054640
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-cyclopentyl-N-methylmethanamine
CID 114648229
1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclooctyl-N-methylmethanamine
CID 114658830
1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclohexyl-N-methylmethanamine
CID 114647869
7-bicyclo[4.1.0]heptanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 115839462
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]butylhydrazine
CID 105202075
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopropylethanol
CID 114644981

Frequently Asked Questions

What is the IUPAC name of [[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-cyclopentylmethyl]hydrazine?
The IUPAC name of [[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-cyclopentylmethyl]hydrazine (CID 105204303) is [[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-cyclopentylmethyl]hydrazine.
What is the SMILES notation for [[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-cyclopentylmethyl]hydrazine?
The canonical SMILES for [[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-cyclopentylmethyl]hydrazine is COCCn1ncc(Cl)c1C(NN)C1CCCC1.
What is the InChIKey of [[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-cyclopentylmethyl]hydrazine?
The InChIKey is YOUYSOQNVAFOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4O/c1-18-7-6-17-12(10(13)8-15-17)11(16-14)9-4-2-3-5-9/h8-9,11,16H,2-7,14H2,1H3.
What are the key properties of [[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-cyclopentylmethyl]hydrazine?
[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-cyclopentylmethyl]hydrazine has a molecular weight of 272.78 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-cyclopentylmethyl]hydrazine is sourced from PubChem (CID 105204303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).