[(4-chloro-1-ethylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]hydrazine

C12H12ClF3N4 — CID 105336403

IUPAC[(4-chloro-1-ethylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]hydrazine
SMILESCCn1ncc(Cl)c1C(NN)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H12ClF3N4/c1-2-20-12(7(13)5-18-20)11(19-17)10-8(15)3-6(14)4-9(10)16/h3-5,11,19H,2,17H2,1H3
InChIKeyBOQOJCVRHGVERU-UHFFFAOYSA-N
MW304.70 g/mol
LogP2.53
Rot. Bonds4

About [(4-chloro-1-ethylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]hydrazine

[(4-chloro-1-ethylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]hydrazine (PubChem CID 105336403) has the molecular formula C12H12ClF3N4 and a molecular weight of 304.70 g/mol. Its IUPAC name is [(4-chloro-1-ethylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-chloro-1-ethylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]hydrazine
PubChem CID105336403
Molecular FormulaC12H12ClF3N4
Molecular Weight304.70 g/mol
Exact Mass304.07
IUPAC Name[(4-chloro-1-ethylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]hydrazine
SMILESCCn1ncc(Cl)c1C(NN)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H12ClF3N4/c1-2-20-12(7(13)5-18-20)11(19-17)10-8(15)3-6(14)4-9(10)16/h3-5,11,19H,2,17H2,1H3
InChIKeyBOQOJCVRHGVERU-UHFFFAOYSA-N
XLogP2.53
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.70
LogP ≤ 52.53
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

[(4-chloro-1-ethylpyrazol-5-yl)-(3-chloro-4-fluorophenyl)methyl]hydrazine
CID 105218119
[(4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105197082
[(4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105336447
[(2-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methyl]hydrazine
CID 105336356
[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,5-difluorophenyl)ethyl]hydrazine
CID 105206674
[(4-chloro-1-ethylpyrazol-5-yl)-phenylmethyl]hydrazine
CID 105199252
N-[(4-chloro-1-ethylpyrazol-5-yl)-(2,4-difluorophenyl)methyl]ethanamine
CID 114650579
[(4-chloro-1-ethylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methyl]hydrazine
CID 105261506
[(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methyl]hydrazine
CID 105336355
[(4-chloro-1-ethylpyrazol-5-yl)-(4-chloro-2-methoxyphenyl)methyl]hydrazine
CID 105336455
[(4-chloro-1-propylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208071
[(3-bromo-5-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105238587

Frequently Asked Questions

What is the IUPAC name of [(4-chloro-1-ethylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]hydrazine?
The IUPAC name of [(4-chloro-1-ethylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]hydrazine (CID 105336403) is [(4-chloro-1-ethylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]hydrazine.
What is the SMILES notation for [(4-chloro-1-ethylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]hydrazine?
The canonical SMILES for [(4-chloro-1-ethylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]hydrazine is CCn1ncc(Cl)c1C(NN)c1c(F)cc(F)cc1F.
What is the InChIKey of [(4-chloro-1-ethylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]hydrazine?
The InChIKey is BOQOJCVRHGVERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF3N4/c1-2-20-12(7(13)5-18-20)11(19-17)10-8(15)3-6(14)4-9(10)16/h3-5,11,19H,2,17H2,1H3.
What are the key properties of [(4-chloro-1-ethylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]hydrazine?
[(4-chloro-1-ethylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]hydrazine has a molecular weight of 304.70 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chloro-1-ethylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]hydrazine is sourced from PubChem (CID 105336403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).