4-bromo-2-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-hydrazinylmethyl]aniline

C13H17BrClN5O — CID 105263440

IUPAC4-bromo-2-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-hydrazinylmethyl]aniline
SMILESCOCCn1ncc(Cl)c1C(NN)c1cc(Br)ccc1N
InChIInChI=1S/C13H17BrClN5O/c1-21-5-4-20-13(10(15)7-18-20)12(19-17)9-6-8(14)2-3-11(9)16/h2-3,6-7,12,19H,4-5,16-17H2,1H3
InChIKeyODRRZDBJEQTHFW-UHFFFAOYSA-N
MW374.67 g/mol
LogP2.08
Rot. Bonds6

About 4-bromo-2-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-hydrazinylmethyl]aniline

4-bromo-2-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-hydrazinylmethyl]aniline (PubChem CID 105263440) has the molecular formula C13H17BrClN5O and a molecular weight of 374.67 g/mol. Its IUPAC name is 4-bromo-2-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-hydrazinylmethyl]aniline.

Molecular Properties

Compound Name4-bromo-2-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-hydrazinylmethyl]aniline
PubChem CID105263440
Molecular FormulaC13H17BrClN5O
Molecular Weight374.67 g/mol
Exact Mass373.03
IUPAC Name4-bromo-2-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-hydrazinylmethyl]aniline
SMILESCOCCn1ncc(Cl)c1C(NN)c1cc(Br)ccc1N
InChIInChI=1S/C13H17BrClN5O/c1-21-5-4-20-13(10(15)7-18-20)12(19-17)9-6-8(14)2-3-11(9)16/h2-3,6-7,12,19H,4-5,16-17H2,1H3
InChIKeyODRRZDBJEQTHFW-UHFFFAOYSA-N
XLogP2.08
TPSA91.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.67
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2-bromo-4-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]hydrazine
CID 105342355
[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-chloro-3-methylphenyl)methyl]hydrazine
CID 105342343
4-bromo-2-[hydrazinyl-(4-methoxy-1-propylpyrazol-5-yl)methyl]aniline
CID 105263508
(5-bromo-2-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanamine
CID 114894463
[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4,5-dibromothiophen-2-yl)methyl]hydrazine
CID 105342423
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4-dichlorophenyl)methyl]hydrazine
CID 105337278
[(4-bromo-2-fluorophenyl)-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methyl]hydrazine
CID 105281020
[(2-bromo-6-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]hydrazine
CID 105280354
[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(5-methylfuran-3-yl)methyl]hydrazine
CID 105342375
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-4-fluorophenyl)methyl]hydrazine
CID 105215480
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,6-dichlorophenyl)methyl]hydrazine
CID 105337323
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-difluoroethyl]hydrazine
CID 105265036

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-hydrazinylmethyl]aniline?
The IUPAC name of 4-bromo-2-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-hydrazinylmethyl]aniline (CID 105263440) is 4-bromo-2-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-hydrazinylmethyl]aniline.
What is the SMILES notation for 4-bromo-2-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-hydrazinylmethyl]aniline?
The canonical SMILES for 4-bromo-2-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-hydrazinylmethyl]aniline is COCCn1ncc(Cl)c1C(NN)c1cc(Br)ccc1N.
What is the InChIKey of 4-bromo-2-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-hydrazinylmethyl]aniline?
The InChIKey is ODRRZDBJEQTHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClN5O/c1-21-5-4-20-13(10(15)7-18-20)12(19-17)9-6-8(14)2-3-11(9)16/h2-3,6-7,12,19H,4-5,16-17H2,1H3.
What are the key properties of 4-bromo-2-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-hydrazinylmethyl]aniline?
4-bromo-2-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-hydrazinylmethyl]aniline has a molecular weight of 374.67 g/mol, XLogP of 2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-hydrazinylmethyl]aniline is sourced from PubChem (CID 105263440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).