[(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methyl]hydrazine

C12H17ClN4O — CID 105336355

IUPAC[(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methyl]hydrazine
SMILESCCn1ncc(Cl)c1C(NN)c1cc(C)oc1C
InChIInChI=1S/C12H17ClN4O/c1-4-17-12(10(13)6-15-17)11(16-14)9-5-7(2)18-8(9)3/h5-6,11,16H,4,14H2,1-3H3
InChIKeySCDMUVSAEMGOLW-UHFFFAOYSA-N
MW268.75 g/mol
LogP2.32
Rot. Bonds4

About [(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methyl]hydrazine

[(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methyl]hydrazine (PubChem CID 105336355) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is [(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methyl]hydrazine
PubChem CID105336355
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name[(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methyl]hydrazine
SMILESCCn1ncc(Cl)c1C(NN)c1cc(C)oc1C
InChIInChI=1S/C12H17ClN4O/c1-4-17-12(10(13)6-15-17)11(16-14)9-5-7(2)18-8(9)3/h5-6,11,16H,4,14H2,1-3H3
InChIKeySCDMUVSAEMGOLW-UHFFFAOYSA-N
XLogP2.32
TPSA69.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 52.32
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

N-[(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 105040716
[(4-chloro-1-ethylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methyl]hydrazine
CID 105261506
[(4-chloro-1-ethylpyrazol-5-yl)-phenylmethyl]hydrazine
CID 105199252
[(4-chloro-1-ethylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]hydrazine
CID 105336403
[(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-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
[(4-chloro-1-ethylpyrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]hydrazine
CID 105192162
(4-chloro-1-methylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 105046611
[(2,5-dimethylfuran-3-yl)-(1-ethylimidazol-2-yl)methyl]hydrazine
CID 105308447

Frequently Asked Questions

What is the IUPAC name of [(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methyl]hydrazine?
The IUPAC name of [(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methyl]hydrazine (CID 105336355) is [(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methyl]hydrazine.
What is the SMILES notation for [(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methyl]hydrazine?
The canonical SMILES for [(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methyl]hydrazine is CCn1ncc(Cl)c1C(NN)c1cc(C)oc1C.
What is the InChIKey of [(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methyl]hydrazine?
The InChIKey is SCDMUVSAEMGOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-4-17-12(10(13)6-15-17)11(16-14)9-5-7(2)18-8(9)3/h5-6,11,16H,4,14H2,1-3H3.
What are the key properties of [(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methyl]hydrazine?
[(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methyl]hydrazine has a molecular weight of 268.75 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methyl]hydrazine is sourced from PubChem (CID 105336355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).