[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxyphenyl)methyl]hydrazine

C14H19BrN4O2 — CID 105190947

IUPAC[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxyphenyl)methyl]hydrazine
SMILESCOCCn1ncc(Br)c1C(NN)c1ccc(OC)cc1
InChIInChI=1S/C14H19BrN4O2/c1-20-8-7-19-14(12(15)9-17-19)13(18-16)10-3-5-11(21-2)6-4-10/h3-6,9,13,18H,7-8,16H2,1-2H3
InChIKeyILAJCHQNHUCBPX-UHFFFAOYSA-N
MW355.24 g/mol
LogP1.85
Rot. Bonds7

About [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxyphenyl)methyl]hydrazine

[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxyphenyl)methyl]hydrazine (PubChem CID 105190947) has the molecular formula C14H19BrN4O2 and a molecular weight of 355.24 g/mol. Its IUPAC name is [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxyphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxyphenyl)methyl]hydrazine
PubChem CID105190947
Molecular FormulaC14H19BrN4O2
Molecular Weight355.24 g/mol
Exact Mass354.07
IUPAC Name[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxyphenyl)methyl]hydrazine
SMILESCOCCn1ncc(Br)c1C(NN)c1ccc(OC)cc1
InChIInChI=1S/C14H19BrN4O2/c1-20-8-7-19-14(12(15)9-17-19)13(18-16)10-3-5-11(21-2)6-4-10/h3-6,9,13,18H,7-8,16H2,1-2H3
InChIKeyILAJCHQNHUCBPX-UHFFFAOYSA-N
XLogP1.85
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3,4-dimethylphenyl)methyl]hydrazine
CID 105337275
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(furan-3-yl)methyl]hydrazine
CID 105221413
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,6-dichlorophenyl)methyl]hydrazine
CID 105337323
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(4-bromophenyl)-N-methylmethanamine
CID 114646225
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylphenyl)methyl]hydrazine
CID 105200540
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4-dichlorophenyl)methyl]hydrazine
CID 105337278
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-bromo-2-methylphenyl)methyl]hydrazine
CID 105337364
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-chloro-5-methylphenyl)methyl]hydrazine
CID 105337269
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dimethylphenyl)methyl]hydrazine
CID 105337265
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-chloro-2-pyridinyl)methyl]hydrazine
CID 103445650
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-4-fluorophenyl)methyl]hydrazine
CID 105215480
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 105337332

Frequently Asked Questions

What is the IUPAC name of [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxyphenyl)methyl]hydrazine?
The IUPAC name of [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxyphenyl)methyl]hydrazine (CID 105190947) is [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxyphenyl)methyl]hydrazine.
What is the SMILES notation for [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxyphenyl)methyl]hydrazine?
The canonical SMILES for [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxyphenyl)methyl]hydrazine is COCCn1ncc(Br)c1C(NN)c1ccc(OC)cc1.
What is the InChIKey of [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxyphenyl)methyl]hydrazine?
The InChIKey is ILAJCHQNHUCBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O2/c1-20-8-7-19-14(12(15)9-17-19)13(18-16)10-3-5-11(21-2)6-4-10/h3-6,9,13,18H,7-8,16H2,1-2H3.
What are the key properties of [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxyphenyl)methyl]hydrazine?
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxyphenyl)methyl]hydrazine has a molecular weight of 355.24 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxyphenyl)methyl]hydrazine is sourced from PubChem (CID 105190947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).