[1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine

C10H13ClF6N4 — CID 103312839

IUPAC[1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine
SMILESCc1nn(C)c(CC(NN)C(C(F)(F)F)C(F)(F)F)c1Cl
InChIInChI=1S/C10H13ClF6N4/c1-4-7(11)6(21(2)20-4)3-5(19-18)8(9(12,13)14)10(15,16)17/h5,8,19H,3,18H2,1-2H3
InChIKeyRWQLDVFRHKWACU-UHFFFAOYSA-N
MW338.68 g/mol
LogP2.50
Rot. Bonds4

About [1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine

[1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine (PubChem CID 103312839) has the molecular formula C10H13ClF6N4 and a molecular weight of 338.68 g/mol. Its IUPAC name is [1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine
PubChem CID103312839
Molecular FormulaC10H13ClF6N4
Molecular Weight338.68 g/mol
Exact Mass338.07
IUPAC Name[1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine
SMILESCc1nn(C)c(CC(NN)C(C(F)(F)F)C(F)(F)F)c1Cl
InChIInChI=1S/C10H13ClF6N4/c1-4-7(11)6(21(2)20-4)3-5(19-18)8(9(12,13)14)10(15,16)17/h5,8,19H,3,18H2,1-2H3
InChIKeyRWQLDVFRHKWACU-UHFFFAOYSA-N
XLogP2.50
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.68
LogP ≤ 52.50
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

1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
CID 103312548
[1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-ethoxy-4-methylpentan-2-yl]hydrazine
CID 105272570
[5-chloro-1-(4-chloro-1,3-dimethylpyrazol-5-yl)pentan-2-yl]hydrazine
CID 105235793
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclopropylethyl]hydrazine
CID 105202592
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 104996691
5-[2-(bromomethyl)-3,3-dimethylbutyl]-4-chloro-1,3-dimethylpyrazole
CID 83141707
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine
CID 105208217
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103147997
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methyl-3-propylhexan-2-amine
CID 104996529
[3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-difluoropropan-2-yl]hydrazine
CID 105264979
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine
CID 105316011
4-[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine
CID 105231314

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine?
The IUPAC name of [1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine (CID 103312839) is [1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine?
The canonical SMILES for [1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine is Cc1nn(C)c(CC(NN)C(C(F)(F)F)C(F)(F)F)c1Cl.
What is the InChIKey of [1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine?
The InChIKey is RWQLDVFRHKWACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF6N4/c1-4-7(11)6(21(2)20-4)3-5(19-18)8(9(12,13)14)10(15,16)17/h5,8,19H,3,18H2,1-2H3.
What are the key properties of [1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine?
[1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine has a molecular weight of 338.68 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine is sourced from PubChem (CID 103312839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).