[4,4,4-trifluoro-1-(1-phenylpyrazol-3-yl)butyl]hydrazine

C13H15F3N4 — CID 105313886

IUPAC[4,4,4-trifluoro-1-(1-phenylpyrazol-3-yl)butyl]hydrazine
SMILESNNC(CCC(F)(F)F)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C13H15F3N4/c14-13(15,16)8-6-11(18-17)12-7-9-20(19-12)10-4-2-1-3-5-10/h1-5,7,9,11,18H,6,8,17H2
InChIKeyBDFMWPVXUSTKKC-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.72
Rot. Bonds5

About [4,4,4-trifluoro-1-(1-phenylpyrazol-3-yl)butyl]hydrazine

[4,4,4-trifluoro-1-(1-phenylpyrazol-3-yl)butyl]hydrazine (PubChem CID 105313886) has the molecular formula C13H15F3N4 and a molecular weight of 284.29 g/mol. Its IUPAC name is [4,4,4-trifluoro-1-(1-phenylpyrazol-3-yl)butyl]hydrazine.

Molecular Properties

Compound Name[4,4,4-trifluoro-1-(1-phenylpyrazol-3-yl)butyl]hydrazine
PubChem CID105313886
Molecular FormulaC13H15F3N4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name[4,4,4-trifluoro-1-(1-phenylpyrazol-3-yl)butyl]hydrazine
SMILESNNC(CCC(F)(F)F)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C13H15F3N4/c14-13(15,16)8-6-11(18-17)12-7-9-20(19-12)10-4-2-1-3-5-10/h1-5,7,9,11,18H,6,8,17H2
InChIKeyBDFMWPVXUSTKKC-UHFFFAOYSA-N
XLogP2.72
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

5,5,5-trifluoro-1-(1-phenylpyrazol-3-yl)pentan-1-ol
CID 105120552
1-(1-phenylpyrazol-3-yl)oct-7-enylhydrazine
CID 107013000
[1-(1-phenylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105324589
4,4-dimethyl-1-(1-phenylpyrazol-3-yl)pentan-1-ol
CID 105091442
[2-(1-methyltriazol-4-yl)-1-(1-phenylpyrazol-3-yl)ethyl]hydrazine
CID 107066649
N-methyl-1-(1-phenylpyrazol-3-yl)octan-1-amine
CID 105124562
[3-methyl-1-(1-phenylpyrazol-3-yl)but-2-enyl]hydrazine
CID 105319814
N-ethyl-1-(1-phenylpyrazol-3-yl)hex-4-yn-1-amine
CID 105181624
N,2,2-trimethyl-1-(1-phenylpyrazol-3-yl)propan-1-amine
CID 105145918
N-ethyl-1-(1-phenylpyrazol-3-yl)but-3-en-1-amine
CID 105108672
3-hexan-3-yl-1-phenylpyrazole
CID 154966414
1-(1-phenylpyrazol-3-yl)octan-1-amine
CID 105124905

Frequently Asked Questions

What is the IUPAC name of [4,4,4-trifluoro-1-(1-phenylpyrazol-3-yl)butyl]hydrazine?
The IUPAC name of [4,4,4-trifluoro-1-(1-phenylpyrazol-3-yl)butyl]hydrazine (CID 105313886) is [4,4,4-trifluoro-1-(1-phenylpyrazol-3-yl)butyl]hydrazine.
What is the SMILES notation for [4,4,4-trifluoro-1-(1-phenylpyrazol-3-yl)butyl]hydrazine?
The canonical SMILES for [4,4,4-trifluoro-1-(1-phenylpyrazol-3-yl)butyl]hydrazine is NNC(CCC(F)(F)F)c1ccn(-c2ccccc2)n1.
What is the InChIKey of [4,4,4-trifluoro-1-(1-phenylpyrazol-3-yl)butyl]hydrazine?
The InChIKey is BDFMWPVXUSTKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4/c14-13(15,16)8-6-11(18-17)12-7-9-20(19-12)10-4-2-1-3-5-10/h1-5,7,9,11,18H,6,8,17H2.
What are the key properties of [4,4,4-trifluoro-1-(1-phenylpyrazol-3-yl)butyl]hydrazine?
[4,4,4-trifluoro-1-(1-phenylpyrazol-3-yl)butyl]hydrazine has a molecular weight of 284.29 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4,4-trifluoro-1-(1-phenylpyrazol-3-yl)butyl]hydrazine is sourced from PubChem (CID 105313886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).