[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethyl]hydrazine

C15H19ClN4O — CID 105333997

IUPAC[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethyl]hydrazine
SMILESCc1nn(C)c(Cl)c1CC(NN)c1ccc2c(c1)COC2
InChIInChI=1S/C15H19ClN4O/c1-9-13(15(16)20(2)19-9)6-14(18-17)10-3-4-11-7-21-8-12(11)5-10/h3-5,14,18H,6-8,17H2,1-2H3
InChIKeyHUJFQANYYAINBX-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.16
Rot. Bonds4

About [2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethyl]hydrazine

[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethyl]hydrazine (PubChem CID 105333997) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is [2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethyl]hydrazine
PubChem CID105333997
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethyl]hydrazine
SMILESCc1nn(C)c(Cl)c1CC(NN)c1ccc2c(c1)COC2
InChIInChI=1S/C15H19ClN4O/c1-9-13(15(16)20(2)19-9)6-14(18-17)10-3-4-11-7-21-8-12(11)5-10/h3-5,14,18H,6-8,17H2,1-2H3
InChIKeyHUJFQANYYAINBX-UHFFFAOYSA-N
XLogP2.16
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.16
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

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
CID 105034936
[1-(4-bromo-3-chlorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]hydrazine
CID 105334045
[1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine
CID 105318959
[1-(3-bromo-5-chlorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]hydrazine
CID 107948485
1-(1,3-dihydro-2-benzofuran-5-yl)propylhydrazine
CID 105281849
[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105228861
[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3,6-dimethylpyridazin-4-yl)ethyl]hydrazine
CID 105334091
[1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316122
[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine
CID 107970575
1-(4-aminophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
CID 106695531
[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105258240
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 105034972

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethyl]hydrazine?
The IUPAC name of [2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethyl]hydrazine (CID 105333997) is [2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethyl]hydrazine?
The canonical SMILES for [2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethyl]hydrazine is Cc1nn(C)c(Cl)c1CC(NN)c1ccc2c(c1)COC2.
What is the InChIKey of [2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethyl]hydrazine?
The InChIKey is HUJFQANYYAINBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-9-13(15(16)20(2)19-9)6-14(18-17)10-3-4-11-7-21-8-12(11)5-10/h3-5,14,18H,6-8,17H2,1-2H3.
What are the key properties of [2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethyl]hydrazine?
[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethyl]hydrazine has a molecular weight of 306.80 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethyl]hydrazine is sourced from PubChem (CID 105333997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).