[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3,3,3-trifluoropropyl]hydrazine

C9H14ClF3N4O — CID 105205931

IUPAC[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3,3,3-trifluoropropyl]hydrazine
SMILESCOCCn1ncc(Cl)c1C(CC(F)(F)F)NN
InChIInChI=1S/C9H14ClF3N4O/c1-18-3-2-17-8(6(10)5-15-17)7(16-14)4-9(11,12)13/h5,7,16H,2-4,14H2,1H3
InChIKeyZTFOFHXUJUAVCK-UHFFFAOYSA-N
MW286.69 g/mol
LogP1.64
Rot. Bonds6

About [1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3,3,3-trifluoropropyl]hydrazine

[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3,3,3-trifluoropropyl]hydrazine (PubChem CID 105205931) has the molecular formula C9H14ClF3N4O and a molecular weight of 286.69 g/mol. Its IUPAC name is [1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3,3,3-trifluoropropyl]hydrazine.

Molecular Properties

Compound Name[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3,3,3-trifluoropropyl]hydrazine
PubChem CID105205931
Molecular FormulaC9H14ClF3N4O
Molecular Weight286.69 g/mol
Exact Mass286.08
IUPAC Name[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3,3,3-trifluoropropyl]hydrazine
SMILESCOCCn1ncc(Cl)c1C(CC(F)(F)F)NN
InChIInChI=1S/C9H14ClF3N4O/c1-18-3-2-17-8(6(10)5-15-17)7(16-14)4-9(11,12)13/h5,7,16H,2-4,14H2,1H3
InChIKeyZTFOFHXUJUAVCK-UHFFFAOYSA-N
XLogP1.64
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.69
LogP ≤ 51.64
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]butylhydrazine
CID 105202075
[1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoropropyl]hydrazine
CID 105206072
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-difluoroethyl]hydrazine
CID 105265036
[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-(2-methoxyethyl)pyrazol-5-yl]-3-phenylpropyl]hydrazine
CID 105205637
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-pyridin-2-ylethyl]hydrazine
CID 105199815
[1-(4-chloro-1-propylpyrazol-5-yl)-4,4,4-trifluorobutyl]hydrazine
CID 105248932
[3,3,3-trifluoro-1-(4-methoxy-1-propylpyrazol-5-yl)propyl]hydrazine
CID 105206017
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-(oxolan-3-yl)ethyl]hydrazine
CID 105266007
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpentyl]hydrazine
CID 105342381

Frequently Asked Questions

What is the IUPAC name of [1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3,3,3-trifluoropropyl]hydrazine?
The IUPAC name of [1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3,3,3-trifluoropropyl]hydrazine (CID 105205931) is [1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3,3,3-trifluoropropyl]hydrazine.
What is the SMILES notation for [1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3,3,3-trifluoropropyl]hydrazine?
The canonical SMILES for [1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3,3,3-trifluoropropyl]hydrazine is COCCn1ncc(Cl)c1C(CC(F)(F)F)NN.
What is the InChIKey of [1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3,3,3-trifluoropropyl]hydrazine?
The InChIKey is ZTFOFHXUJUAVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClF3N4O/c1-18-3-2-17-8(6(10)5-15-17)7(16-14)4-9(11,12)13/h5,7,16H,2-4,14H2,1H3.
What are the key properties of [1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3,3,3-trifluoropropyl]hydrazine?
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3,3,3-trifluoropropyl]hydrazine has a molecular weight of 286.69 g/mol, XLogP of 1.64, 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]-3,3,3-trifluoropropyl]hydrazine is sourced from PubChem (CID 105205931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).