[(4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine

C12H13ClF2N4 — CID 105197082

IUPAC[(4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine
SMILESCCn1ncc(Cl)c1C(NN)c1ccc(F)c(F)c1
InChIInChI=1S/C12H13ClF2N4/c1-2-19-12(8(13)6-17-19)11(18-16)7-3-4-9(14)10(15)5-7/h3-6,11,18H,2,16H2,1H3
InChIKeyOQSWFDBJSHYYKV-UHFFFAOYSA-N
MW286.71 g/mol
LogP2.39
Rot. Bonds4

About [(4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine

[(4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine (PubChem CID 105197082) has the molecular formula C12H13ClF2N4 and a molecular weight of 286.71 g/mol. Its IUPAC name is [(4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine
PubChem CID105197082
Molecular FormulaC12H13ClF2N4
Molecular Weight286.71 g/mol
Exact Mass286.08
IUPAC Name[(4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine
SMILESCCn1ncc(Cl)c1C(NN)c1ccc(F)c(F)c1
InChIInChI=1S/C12H13ClF2N4/c1-2-19-12(8(13)6-17-19)11(18-16)7-3-4-9(14)10(15)5-7/h3-6,11,18H,2,16H2,1H3
InChIKeyOQSWFDBJSHYYKV-UHFFFAOYSA-N
XLogP2.39
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 52.39
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)methanamine
CID 114646613
[(4-chloro-1-ethylpyrazol-5-yl)-phenylmethyl]hydrazine
CID 105199252
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105197225
[(4-chloro-1-ethylpyrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]hydrazine
CID 105192162
[(4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105336447
[(4-chloro-1-ethylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]hydrazine
CID 105336403
[(4-chloro-1-propylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208071
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 114646347
[(4-chloro-1-ethylpyrazol-5-yl)-(4-chloro-2-methoxyphenyl)methyl]hydrazine
CID 105336455
[(2-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methyl]hydrazine
CID 105336356
[(4-chloro-1-propylpyrazol-5-yl)-(4-propan-2-ylphenyl)methyl]hydrazine
CID 105194048

Frequently Asked Questions

What is the IUPAC name of [(4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine?
The IUPAC name of [(4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine (CID 105197082) is [(4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine.
What is the SMILES notation for [(4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine?
The canonical SMILES for [(4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine is CCn1ncc(Cl)c1C(NN)c1ccc(F)c(F)c1.
What is the InChIKey of [(4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine?
The InChIKey is OQSWFDBJSHYYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF2N4/c1-2-19-12(8(13)6-17-19)11(18-16)7-3-4-9(14)10(15)5-7/h3-6,11,18H,2,16H2,1H3.
What are the key properties of [(4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine?
[(4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine has a molecular weight of 286.71 g/mol, XLogP of 2.39, 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)-(3,4-difluorophenyl)methyl]hydrazine is sourced from PubChem (CID 105197082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).