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

C8H13ClF2N4O — CID 105265036

IUPAC[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-difluoroethyl]hydrazine
SMILESCOCCn1ncc(Cl)c1C(NN)C(F)F
InChIInChI=1S/C8H13ClF2N4O/c1-16-3-2-15-7(5(9)4-13-15)6(14-12)8(10)11/h4,6,8,14H,2-3,12H2,1H3
InChIKeyYMSBYOFKQVENPO-UHFFFAOYSA-N
MW254.67 g/mol
LogP0.95
Rot. Bonds6

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

[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-difluoroethyl]hydrazine (PubChem CID 105265036) has the molecular formula C8H13ClF2N4O and a molecular weight of 254.67 g/mol. Its IUPAC name is [1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-difluoroethyl]hydrazine.

Molecular Properties

Compound Name[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-difluoroethyl]hydrazine
PubChem CID105265036
Molecular FormulaC8H13ClF2N4O
Molecular Weight254.67 g/mol
Exact Mass254.07
IUPAC Name[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-difluoroethyl]hydrazine
SMILESCOCCn1ncc(Cl)c1C(NN)C(F)F
InChIInChI=1S/C8H13ClF2N4O/c1-16-3-2-15-7(5(9)4-13-15)6(14-12)8(10)11/h4,6,8,14H,2-3,12H2,1H3
InChIKeyYMSBYOFKQVENPO-UHFFFAOYSA-N
XLogP0.95
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 50.95
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-(2-methoxyethyl)pyrazol-5-yl]-2-methylpentyl]hydrazine
CID 105342381
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3,3,3-trifluoropropyl]hydrazine
CID 105205931
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]butylhydrazine
CID 105202075
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethoxyethanamine
CID 114657526
[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-cyclopentylmethyl]hydrazine
CID 105204303
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-hydrazinyl-N,N,2-trimethylpropan-2-amine
CID 105238898
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(4-chlorophenyl)ethyl]hydrazine
CID 105197611
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-chlorophenyl)ethyl]hydrazine
CID 105209479
[1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethoxyethyl]hydrazine
CID 105245955
[(2-bromo-4-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]hydrazine
CID 105342355
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-phenylpropyl]hydrazine
CID 105205637
[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-chloro-3-methylphenyl)methyl]hydrazine
CID 105342343

Frequently Asked Questions

What is the IUPAC name of [1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-difluoroethyl]hydrazine?
The IUPAC name of [1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-difluoroethyl]hydrazine (CID 105265036) is [1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-difluoroethyl]hydrazine.
What is the SMILES notation for [1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-difluoroethyl]hydrazine?
The canonical SMILES for [1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-difluoroethyl]hydrazine is COCCn1ncc(Cl)c1C(NN)C(F)F.
What is the InChIKey of [1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-difluoroethyl]hydrazine?
The InChIKey is YMSBYOFKQVENPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClF2N4O/c1-16-3-2-15-7(5(9)4-13-15)6(14-12)8(10)11/h4,6,8,14H,2-3,12H2,1H3.
What are the key properties of [1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-difluoroethyl]hydrazine?
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-difluoroethyl]hydrazine has a molecular weight of 254.67 g/mol, XLogP of 0.95, 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-(2-methoxyethyl)pyrazol-5-yl]-2,2-difluoroethyl]hydrazine is sourced from PubChem (CID 105265036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).